4-{2-[(4-chlorophenyl)methoxy]phenyl}-3-methyl-1-(3-methyl[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-{2-[(4-chlorophenyl)methoxy]phenyl}-3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-{2-[(4-chlorophenyl)methoxy]phenyl}-3-methyl-1-(3-methyl[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: | J081-0901 |
| Compound Name: | 4-{2-[(4-chlorophenyl)methoxy]phenyl}-3-methyl-1-(3-methyl[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: | 499.96 |
| Molecular Formula: | C26 H22 Cl N7 O2 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc3nnc(C)n3n2)n1)=O)c1ccccc1OCc1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7857 |
| logD: | 3.7824 |
| logSw: | -4.3176 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.076 |
| InChI Key: | SMBDZACWKULHGL-HXUWFJFHSA-N |