methyl 4-{3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl}benzoate
methyl 4-{3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl}benzoate
Compound characteristics
| Compound ID: | D361-0809 |
| Compound Name: | methyl 4-{3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl}benzoate |
| Molecular Weight: | 454.49 |
| Molecular Formula: | C25 H22 N6 O3 |
| Smiles: | Cc1ccc(cc1)c1cnnc(n1)n1c2c(C(CC(N2)=O)c2ccc(cc2)C(=O)OC)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8582 |
| logD: | 3.8576 |
| logSw: | -3.9799 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.549 |
| InChI Key: | BTVHFXUHELNNQI-IBGZPJMESA-N |