4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-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-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-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-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-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: | J081-0517 |
| Compound Name: | 4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-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: | 431.45 |
| Molecular Formula: | C22 H21 N7 O3 |
| Smiles: | Cc1nnc2ccc(nn12)n1c2c(cn1)C(CC(N2)=O)c1ccc(c(c1)OC)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.98 |
| logD: | 1.9798 |
| logSw: | -2.7451 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.544 |
| InChI Key: | PVUKWGYPJOXBEE-HNNXBMFYSA-N |