1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-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-(2,5-dimethylthiophen-3-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0634 |
| Compound Name: | 1-(1H-benzimidazol-2-yl)-4-(2,5-dimethylthiophen-3-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 377.47 |
| Molecular Formula: | C20 H19 N5 O S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3[nH]2)n1)=O)c1cc(C)sc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5323 |
| logD: | 1.3791 |
| logSw: | -3.9022 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.328 |
| InChI Key: | XVXYGBOQKPNRFI-AWEZNQCLSA-N |