4-{3-[(2-chlorophenyl)methoxy]phenyl}-3-methyl-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
4-{3-[(2-chlorophenyl)methoxy]phenyl}-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-{3-[(2-chlorophenyl)methoxy]phenyl}-3-methyl-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: | J081-0864 |
| Compound Name: | 4-{3-[(2-chlorophenyl)methoxy]phenyl}-3-methyl-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: | 485.93 |
| Molecular Formula: | C25 H20 Cl N7 O2 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc3nncn3n2)n1)=O)c1cccc(c1)OCc1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3643 |
| logD: | 3.3631 |
| logSw: | -3.5642 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.864 |
| InChI Key: | NCWQHOGGRKFSCU-LJQANCHMSA-N |