2-{3-[3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide
Chemical Structure Depiction of
2-{3-[3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide
2-{3-[3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide
Compound characteristics
| Compound ID: | J081-0994 |
| Compound Name: | 2-{3-[3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide |
| Molecular Weight: | 432.44 |
| Molecular Formula: | C21 H20 N8 O3 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc3nnc(C)n3n2)n1)=O)c1cccc(c1)OCC(N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.0493 |
| logD: | -0.0526 |
| logSw: | -1.9182 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.649 |
| InChI Key: | JOKBSUMRTJJKQP-HNNXBMFYSA-N |