methyl 4-{1-[5-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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: | D361-1145 |
| Compound Name: | methyl 4-{1-[5-(3-methoxyphenyl)-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: | 470.49 |
| Molecular Formula: | C25 H22 N6 O4 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2cccc(c2)OC)n1)=O)c1ccc(cc1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3733 |
| logD: | 3.3728 |
| logSw: | -3.5706 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.092 |
| InChI Key: | CIYLNWGYAJNRET-IBGZPJMESA-N |