methyl 4-[1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate
methyl 4-[1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate
Compound characteristics
| Compound ID: | D292-0074 |
| Compound Name: | methyl 4-[1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | Cc1cc(C)nc(n1)n1c2c(C(CC(N2)=O)c2ccc(cc2)C(=O)OC)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4135 |
| logD: | 2.3378 |
| logSw: | -2.9147 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.376 |
| InChI Key: | OQVNPEFCRUTPFA-INIZCTEOSA-N |