3-methyl-4-{3-[(3-methylphenyl)methoxy]phenyl}-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-methyl-4-{3-[(3-methylphenyl)methoxy]phenyl}-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-methyl-4-{3-[(3-methylphenyl)methoxy]phenyl}-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0862 |
| Compound Name: | 3-methyl-4-{3-[(3-methylphenyl)methoxy]phenyl}-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 465.51 |
| Molecular Formula: | C26 H23 N7 O2 |
| Smiles: | Cc1cccc(COc2cccc(c2)C2CC(Nc3c2c(C)nn3c2ccc3nncn3n2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.586 |
| logD: | 3.5848 |
| logSw: | -3.8092 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.864 |
| InChI Key: | ITUOOZRZDAJJCK-NRFANRHFSA-N |