1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-{4-[(2-methylphenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-{4-[(2-methylphenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-{4-[(2-methylphenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D292-0039 |
| Compound Name: | 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-{4-[(2-methylphenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C27 H27 N5 O2 |
| Smiles: | Cc1ccccc1COc1ccc(cc1)C1CC(Nc2c1c(C)nn2c1nc(C)cc(C)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3175 |
| logD: | 4.2419 |
| logSw: | -4.2417 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.43 |
| InChI Key: | IFHXONQUJMKDIN-QHCPKHFHSA-N |