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3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide structure
Fine Chemical

3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide

TL;DR: 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide (CAS 158942-04-2) is a chemical compound with molecular formula C17H16N4O and molecular weight 292.13242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide

Also Known As: SB 206553, MPCTPI, SB 206553 hydrochloride, Lopac-S-180, (Quinoxalin-6-yl)methanol

CAS Number
158942-04-2
Molecular Formula
C17H16N4O
Molecular Weight
292.13242 g/mol
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Application Areas

Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.

Analytical Reagents (1 patents) Biotechnology (1 patents) Heterocyclic Building Blocks (2 patents) Pharmaceutical Intermediates (5 patents)

Technical Specifications

Molecular FormulaC17H16N4O
Molecular Weight292.13242 g/mol
XLogP1.7
Topological Polar Surface Area (TPSA)50.2 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors2
Rotatable Bonds1
Exact Mass292.13242 Da
Heavy Atoms22
Complexity429.0
SMILESCN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21
InChIKeyQJQORSLQNXDVGE-UHFFFAOYSA-N

Product Description

Applications: 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide is a pharmaceutical intermediate identified by CAS number 158942-04-2 and the molecular formula C17H16N4O and a molecular weight of 292.13 g/mol. Synonyms include SB 206553 and MPCTPI.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide

XLogP
1.7
TPSA (Topological Polar Surface Area)
50.2
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
Rotatable Bonds
1
Heavy Atoms
22
Complexity
429.0
Exact Mass
292.13242
Monoisotopic Mass
292.13242
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide

The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide. With a topological polar surface area (TPSA) of 50.2 Ų, 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide?

The CAS number of 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide is 158942-04-2.

What is the molecular formula of 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide?

The molecular formula of 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide is C17H16N4O.

What is the molecular weight of 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide?

The molecular weight of 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide is 292.13242 g/mol.

What are the applications of 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide?

3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic...

Where can I buy 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide?

You can request a quote for 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide?

Yes, CoreyChem provides custom synthesis services for 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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