7-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-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: | D292-0112 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-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: | 487.99 |
| Molecular Formula: | C27 H26 Cl N5 O2 |
| Smiles: | Cc1cc(C)nc(n1)n1c2c(C(CC(N2Cc2ccc(cc2)[Cl])=O)c2ccccc2OC)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1413 |
| logD: | 4.9952 |
| logSw: | -5.5323 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.513 |
| InChI Key: | PFFXALKXZTWSTM-QFIPXVFZSA-N |