4-{3-methoxy-2-[(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-methoxy-2-[(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-methoxy-2-[(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: | J081-0907 |
| Compound Name: | 4-{3-methoxy-2-[(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: | 445.48 |
| Molecular Formula: | C23 H23 N7 O3 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc3nnc(C)n3n2)n1)=O)c1cccc(c1OCC=C)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9459 |
| logD: | 1.9426 |
| logSw: | -2.522 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.983 |
| InChI Key: | DDTPSSXLTNMRPQ-INIZCTEOSA-N |