4-(2,5-dimethylbenzoyl)-1-(2,3-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(2,5-dimethylbenzoyl)-1-(2,3-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2,5-dimethylbenzoyl)-1-(2,3-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1371 |
| Compound Name: | 4-(2,5-dimethylbenzoyl)-1-(2,3-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C24 H25 N3 O2 |
| Smiles: | Cc1ccc(C)c(c1)C(C1CC(Nc2c1c(C)nn2c1cccc(C)c1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5887 |
| logD: | 4.5839 |
| logSw: | -4.3797 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.529 |
| InChI Key: | BMAUJQVHGMXGQK-IBGZPJMESA-N |