4-(2H-1,3-benzodioxole-5-carbonyl)-3-(4-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxole-5-carbonyl)-3-(4-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2H-1,3-benzodioxole-5-carbonyl)-3-(4-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1801 |
| Compound Name: | 4-(2H-1,3-benzodioxole-5-carbonyl)-3-(4-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 375.38 |
| Molecular Formula: | C21 H17 N3 O4 |
| Smiles: | Cc1ccc(cc1)c1c2C(CC(Nc2[nH]n1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9805 |
| logD: | 2.921 |
| logSw: | -3.2209 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.478 |
| InChI Key: | SNNHAZDETABXQL-AWEZNQCLSA-N |