1-(1H-benzimidazol-2-yl)-4-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1H-benzimidazol-2-yl)-4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 8019-6630 |
| Compound Name: | 1-(1H-benzimidazol-2-yl)-4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 387.4 |
| Molecular Formula: | C21 H17 N5 O3 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3[nH]2)n1)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8079 |
| logD: | 0.6548 |
| logSw: | -3.2021 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.425 |
| InChI Key: | XLBHQWNWXNHLTG-ZDUSSCGKSA-N |