4-(4-hydroxy-3,5-dimethoxyphenyl)-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-(4-hydroxy-3,5-dimethoxyphenyl)-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-(4-hydroxy-3,5-dimethoxyphenyl)-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: | J081-0945 |
| Compound Name: | 4-(4-hydroxy-3,5-dimethoxyphenyl)-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: | 435.44 |
| Molecular Formula: | C21 H21 N7 O4 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc3nnc(C)n3n2)n1)=O)c1cc(c(c(c1)OC)O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4867 |
| logD: | 0.4759 |
| logSw: | -1.8856 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.502 |
| InChI Key: | VZCQEFJEQBKHGH-ZDUSSCGKSA-N |