3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-(2,4,5-trimethoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-(2,4,5-trimethoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-(2,4,5-trimethoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0930 |
| Compound Name: | 3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-(2,4,5-trimethoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 449.47 |
| Molecular Formula: | C22 H23 N7 O4 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc3nnc(C)n3n2)n1)=O)c1cc(c(cc1OC)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.905 |
| logD: | 0.9017 |
| logSw: | -2.0391 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.653 |
| InChI Key: | WCWAXUJSCSHFPO-AWEZNQCLSA-N |