1-(3-chloro-4-methylphenyl)-4-(2,5-dimethylbenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(3-chloro-4-methylphenyl)-4-(2,5-dimethylbenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(3-chloro-4-methylphenyl)-4-(2,5-dimethylbenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-0972 |
| Compound Name: | 1-(3-chloro-4-methylphenyl)-4-(2,5-dimethylbenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 407.9 |
| Molecular Formula: | C23 H22 Cl N3 O2 |
| Smiles: | Cc1ccc(C)c(c1)C(C1CC(Nc2c1c(C)nn2c1ccc(C)c(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7985 |
| logD: | 4.7937 |
| logSw: | -4.7734 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.83 |
| InChI Key: | XVDJJCDHLFJATN-SFHVURJKSA-N |