4-(5-bromo-2-methoxyphenyl)-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-(5-bromo-2-methoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(5-bromo-2-methoxyphenyl)-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: | D292-0073 |
| Compound Name: | 4-(5-bromo-2-methoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 442.31 |
| Molecular Formula: | C20 H20 Br N5 O2 |
| Smiles: | Cc1cc(C)nc(n1)n1c2c(C(CC(N2)=O)c2cc(ccc2OC)[Br])c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2747 |
| logD: | 3.1991 |
| logSw: | -3.3646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.833 |
| InChI Key: | NTDHRKVALLRDPX-OAHLLOKOSA-N |