4-(2H-1,3-benzodioxole-5-carbonyl)-1-(3-chloro-2-methylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxole-5-carbonyl)-1-(3-chloro-2-methylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2H-1,3-benzodioxole-5-carbonyl)-1-(3-chloro-2-methylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1665 |
| Compound Name: | 4-(2H-1,3-benzodioxole-5-carbonyl)-1-(3-chloro-2-methylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 423.85 |
| Molecular Formula: | C22 H18 Cl N3 O4 |
| Smiles: | Cc1c(cccc1[Cl])n1c2c(C(CC(N2)=O)C(c2ccc3c(c2)OCO3)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8481 |
| logD: | 3.8433 |
| logSw: | -4.2795 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.644 |
| InChI Key: | ZRMLTBONQSBPGO-AWEZNQCLSA-N |