4-(3,4-dimethylphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(3,4-dimethylphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(3,4-dimethylphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-1198 |
| Compound Name: | 4-(3,4-dimethylphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C25 H24 N6 O |
| Smiles: | Cc1ccc(cc1)c1cnnc(n1)n1c2c(C(CC(N2)=O)c2ccc(C)c(C)c2)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8706 |
| logD: | 4.8701 |
| logSw: | -4.4006 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.375 |
| InChI Key: | ATMRPKKZCOBWOH-FQEVSTJZSA-N |