TL;DR: 2,3-dihydro-2-oxo 1-phenyl-3-(4-pyridinylmethyl)-1H-indole-3-pentanenitrile (CAS 151695-32-8) is a chemical compound with molecular formula C25H23N3O and molecular weight 381.1841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]pentanenitrile
Also Known As: 2,3-Dpipn, 5-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]pentanenitrile, 2,3-Dihydro-2-oxo 1-phenyl-3-(4-pyridinylmethyl)-1H-indole-3-pentanenitrile, 1H-Indole-3-pentanenitrile,2,3-dihydro-2-oxo-1-phenyl-3-(4-pyridinylmethyl)-, 5-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)-2,3-dihydro-1h-indol-3-yl]pentanenitrile
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C25H23N3O |
| Molecular Weight | 381.1841 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.1841 Da |
| Heavy Atoms | 29 |
| Complexity | 598.0 |
| SMILES | C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CCCCC#N)CC4=CC=NC=C4 |
| InChIKey | DCECKCOPXWHCTK-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 2,3-dihydro-2-oxo 1-phenyl-3-(4-pyridinylmethyl)-1H-indole-3-pentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.0 Ų, 2,3-dihydro-2-oxo 1-phenyl-3-(4-pyridinylmethyl)-1H-indole-3-pentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-dihydro-2-oxo 1-phenyl-3-(4-pyridinylmethyl)-1H-indole-3-pentanenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,3-dihydro-2-oxo 1-phenyl-3-(4-pyridinylmethyl)-1H-indole-3-pentanenitrile is 151695-32-8.
The molecular formula of 2,3-dihydro-2-oxo 1-phenyl-3-(4-pyridinylmethyl)-1H-indole-3-pentanenitrile is C25H23N3O.
The molecular weight of 2,3-dihydro-2-oxo 1-phenyl-3-(4-pyridinylmethyl)-1H-indole-3-pentanenitrile is 381.1841 g/mol.
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