4-(4-chlorophenyl)-3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(4-chlorophenyl)-3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(4-chlorophenyl)-3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0214 |
| Compound Name: | 4-(4-chlorophenyl)-3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 391.86 |
| Molecular Formula: | C21 H18 Cl N5 O |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3n2C)n1)=O)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8288 |
| logD: | 0.9375 |
| logSw: | -4.6523 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.642 |
| InChI Key: | WGWAOQBTAHRYAO-OAHLLOKOSA-N |