1-(4,6-dimethylpyrimidin-2-yl)-4-(4-ethoxyphenyl)-3-methyl-7-[(4-methylphenyl)methyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(4,6-dimethylpyrimidin-2-yl)-4-(4-ethoxyphenyl)-3-methyl-7-[(4-methylphenyl)methyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(4,6-dimethylpyrimidin-2-yl)-4-(4-ethoxyphenyl)-3-methyl-7-[(4-methylphenyl)methyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D292-0211 |
| Compound Name: | 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-ethoxyphenyl)-3-methyl-7-[(4-methylphenyl)methyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 481.6 |
| Molecular Formula: | C29 H31 N5 O2 |
| Smiles: | CCOc1ccc(cc1)C1CC(N(Cc2ccc(C)cc2)c2c1c(C)nn2c1nc(C)cc(C)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1708 |
| logD: | 5.0247 |
| logSw: | -4.9634 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.006 |
| InChI Key: | WLKNICRIWVAAGM-VWLOTQADSA-N |