4-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]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-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]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-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]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: | J081-0943 |
| Compound Name: | 4-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]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: | 459.51 |
| Molecular Formula: | C24 H25 N7 O3 |
| Smiles: | CCOc1cc(ccc1OCC=C)C1CC(Nc2c1c(C)nn2c1ccc2nnc(C)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0456 |
| logD: | 2.0423 |
| logSw: | -2.8794 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.477 |
| InChI Key: | BUQXGNXWVLAUHK-KRWDZBQOSA-N |