4-{3-methoxy-2-[(4-methylphenyl)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-methoxy-2-[(4-methylphenyl)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-methoxy-2-[(4-methylphenyl)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: | D361-0271 |
| Compound Name: | 4-{3-methoxy-2-[(4-methylphenyl)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: | 495.54 |
| Molecular Formula: | C27 H25 N7 O3 |
| Smiles: | Cc1ccc(COc2c(cccc2OC)C2CC(Nc3c2c(C)nn3c2ccc3nncn3n2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2902 |
| logD: | 3.289 |
| logSw: | -3.4964 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.667 |
| InChI Key: | CRNFQDLLLADTDJ-FQEVSTJZSA-N |