7-[(3-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
7-[(3-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D292-0088 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 457.96 |
| Molecular Formula: | C26 H24 Cl N5 O |
| Smiles: | Cc1cc(C)nc(n1)n1c2c(C(CC(N2Cc2cccc(c2)[Cl])=O)c2ccccc2)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0382 |
| logD: | 4.8921 |
| logSw: | -5.1638 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.883 |
| InChI Key: | BQRNESYYKCYKAZ-QFIPXVFZSA-N |