1-(1H-benzimidazol-2-yl)-4-(3-bromo-4-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(1H-benzimidazol-2-yl)-4-(3-bromo-4-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1H-benzimidazol-2-yl)-4-(3-bromo-4-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0186 |
| Compound Name: | 1-(1H-benzimidazol-2-yl)-4-(3-bromo-4-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 452.31 |
| Molecular Formula: | C21 H18 Br N5 O2 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3[nH]2)n1)=O)c1ccc(c(c1)[Br])OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2661 |
| logD: | 1.113 |
| logSw: | -3.4327 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.94 |
| InChI Key: | ZXFVKUKTKNKDAB-CYBMUJFWSA-N |