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
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H16N4O |
| Molecular Weight | 292.13242 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.13242 Da |
| Heavy Atoms | 22 |
| Complexity | 429.0 |
| SMILES | CN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21 |
| InChIKey | QJQORSLQNXDVGE-UHFFFAOYSA-N |
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.
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.
The molecular formula of 3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide is C17H16N4O.
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.
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