4-[3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile
Chemical Structure Depiction of
4-[3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile
4-[3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile
Compound characteristics
| Compound ID: | J094-0223 |
| Compound Name: | 4-[3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile |
| Molecular Weight: | 382.42 |
| Molecular Formula: | C22 H18 N6 O |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3n2C)n1)=O)c1ccc(C#N)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8885 |
| logD: | -0.0028 |
| logSw: | -3.187 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.698 |
| InChI Key: | AQIGVQJDGHBUBB-INIZCTEOSA-N |