3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0227 |
| Compound Name: | 3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 402.41 |
| Molecular Formula: | C21 H18 N6 O3 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3n2C)n1)=O)c1ccccc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0893 |
| logD: | 0.1981 |
| logSw: | -3.4079 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.723 |
| InChI Key: | AHAVSYPMEFTFDR-CQSZACIVSA-N |