methyl 4-{1-[5-(4-fluorophenyl)-1,2,4-triazin-3-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-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl}benzoate
methyl 4-{1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl}benzoate
Compound characteristics
| Compound ID: | D361-1480 |
| Compound Name: | methyl 4-{1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl}benzoate |
| Molecular Weight: | 458.45 |
| Molecular Formula: | C24 H19 F N6 O3 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2ccc(cc2)F)n1)=O)c1ccc(cc1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4638 |
| logD: | 3.4633 |
| logSw: | -3.4462 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.549 |
| InChI Key: | FTQUCQIUOLOYRO-SFHVURJKSA-N |