1-(4,6-dimethylpyrimidin-2-yl)-4-{3-methoxy-4-[(3-methylphenyl)methoxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(4,6-dimethylpyrimidin-2-yl)-4-{3-methoxy-4-[(3-methylphenyl)methoxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(4,6-dimethylpyrimidin-2-yl)-4-{3-methoxy-4-[(3-methylphenyl)methoxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D292-0026 |
| Compound Name: | 1-(4,6-dimethylpyrimidin-2-yl)-4-{3-methoxy-4-[(3-methylphenyl)methoxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C28 H29 N5 O3 |
| Smiles: | Cc1cccc(COc2ccc(cc2OC)C2CC(Nc3c2c(C)nn3c2nc(C)cc(C)n2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2595 |
| logD: | 4.1839 |
| logSw: | -4.5367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.147 |
| InChI Key: | LBQPXJSQWMEDSE-QFIPXVFZSA-N |