methyl 4-[3-methyl-6-oxo-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-methyl-6-oxo-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate
methyl 4-[3-methyl-6-oxo-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate
Compound characteristics
| Compound ID: | D361-0365 |
| Compound Name: | methyl 4-[3-methyl-6-oxo-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate |
| Molecular Weight: | 403.4 |
| Molecular Formula: | C20 H17 N7 O3 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc3nncn3n2)n1)=O)c1ccc(cc1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4905 |
| logD: | 1.4893 |
| logSw: | -1.9688 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.81 |
| InChI Key: | IFKMQDFCNGRVBD-AWEZNQCLSA-N |