1-(1H-benzimidazol-2-yl)-4-[4-(heptyloxy)-3,5-dimethoxyphenyl]-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-[4-(heptyloxy)-3,5-dimethoxyphenyl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1H-benzimidazol-2-yl)-4-[4-(heptyloxy)-3,5-dimethoxyphenyl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 8020-9025 |
| Compound Name: | 1-(1H-benzimidazol-2-yl)-4-[4-(heptyloxy)-3,5-dimethoxyphenyl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 517.63 |
| Molecular Formula: | C29 H35 N5 O4 |
| Smiles: | CCCCCCCOc1c(cc(cc1OC)C1CC(Nc2c1c(C)nn2c1nc2ccccc2[nH]1)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4418 |
| logD: | 3.2886 |
| logSw: | -5.1829 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.161 |
| InChI Key: | CRYRHLNAJLEZHA-FQEVSTJZSA-N |