1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-{4-[(prop-2-yn-1-yl)oxy]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-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D292-0038 |
| Compound Name: | 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C22 H21 N5 O2 |
| Smiles: | Cc1cc(C)nc(n1)n1c2c(C(CC(N2)=O)c2ccc(cc2)OCC#C)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4021 |
| logD: | 2.3264 |
| logSw: | -2.9484 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.62 |
| InChI Key: | NMDGJMYTCMZYQI-SFHVURJKSA-N |