7-benzyl-1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
7-benzyl-1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
7-benzyl-1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D292-0109 |
| Compound Name: | 7-benzyl-1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C27 H27 N5 O2 |
| Smiles: | Cc1cc(C)nc(n1)n1c2c(C(CC(N2Cc2ccccc2)=O)c2ccccc2OC)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5466 |
| logD: | 4.4005 |
| logSw: | -4.4861 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.513 |
| InChI Key: | CSMHCGBEIKMNTN-QFIPXVFZSA-N |