4-(2H-1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2H-1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D292-0156 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C20 H19 N5 O3 |
| Smiles: | Cc1cc(C)nc(n1)n1c2c(C(CC(N2)=O)c2ccc3c(c2)OCO3)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3203 |
| logD: | 2.2446 |
| logSw: | -3.0152 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.318 |
| InChI Key: | LPPIAKQQPWSUCR-AWEZNQCLSA-N |