TL;DR: 2-Propenamide, 2-cyano-3-(1H-pyrrolo[2,3-B]pyridin-3-YL)- (CAS 157561-90-5) is a chemical compound with molecular formula C11H8N4O and molecular weight 212.06981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-2-cyano-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
Also Known As: (Z)-2-cyano-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide, 2-PROPENAMIDE, 2-CYANO-3-(1H-PYRROLO[2,3-B]PYRIDIN-3-YL)-, (Z)-2-cyano-3-(5,7-diazabicyclo[4.3.0]nona-2,4,8,10-tetraen-9-yl)prop-2-enamide
| Molecular Formula | C11H8N4O |
| Molecular Weight | 212.06981 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 95.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.06981 Da |
| Heavy Atoms | 16 |
| Complexity | 367.0 |
| SMILES | C1=CC2=C(NC=C2/C=C(/C#N)\C(=O)N)N=C1 |
| InChIKey | HSMDSHREIXZDSV-DAXSKMNVSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenamide, 2-cyano-3-(1H-pyrrolo[2,3-B]pyridin-3-YL)-. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenamide, 2-cyano-3-(1H-pyrrolo[2,3-B]pyridin-3-YL)-. Following Lipinski's Rule of Five, 2-Propenamide, 2-cyano-3-(1H-pyrrolo[2,3-B]pyridin-3-YL)- has 2 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-Propenamide, 2-cyano-3-(1H-pyrrolo[2,3-B]pyridin-3-YL)- is 157561-90-5.
The molecular formula of 2-Propenamide, 2-cyano-3-(1H-pyrrolo[2,3-B]pyridin-3-YL)- is C11H8N4O.
The molecular weight of 2-Propenamide, 2-cyano-3-(1H-pyrrolo[2,3-B]pyridin-3-YL)- is 212.06981 g/mol.
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