1-(1H-benzimidazol-2-yl)-3-methyl-4-(4-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(1H-benzimidazol-2-yl)-3-methyl-4-(4-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1H-benzimidazol-2-yl)-3-methyl-4-(4-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0193 |
| Compound Name: | 1-(1H-benzimidazol-2-yl)-3-methyl-4-(4-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 388.38 |
| Molecular Formula: | C20 H16 N6 O3 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3[nH]2)n1)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7361 |
| logD: | 0.5829 |
| logSw: | -3.1952 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.691 |
| InChI Key: | LUQAKLOBMXJEFF-CQSZACIVSA-N |