1-(4,6-dimethylpyrimidin-2-yl)-4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]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-[(prop-2-yn-1-yl)oxy]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-[(prop-2-yn-1-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D292-0034 |
| Compound Name: | 1-(4,6-dimethylpyrimidin-2-yl)-4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 417.47 |
| Molecular Formula: | C23 H23 N5 O3 |
| Smiles: | Cc1cc(C)nc(n1)n1c2c(C(CC(N2)=O)c2ccc(c(c2)OC)OCC#C)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.228 |
| logD: | 2.1524 |
| logSw: | -2.9665 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.337 |
| InChI Key: | FQWHSUYSUAYDEE-KRWDZBQOSA-N |