4-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D292-0139 |
| Compound Name: | 4-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 497.6 |
| Molecular Formula: | C29 H31 N5 O3 |
| Smiles: | Cc1ccc(CN2C(CC(c3cc(ccc3OC)OC)c3c(C)nn(c4nc(C)cc(C)n4)c23)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.019 |
| logD: | 4.8729 |
| logSw: | -4.7318 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.057 |
| InChI Key: | WSHLLLSMZKMTJW-DEOSSOPVSA-N |