4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-(4-methylphenyl)-3-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-(4-methylphenyl)-3-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-(4-methylphenyl)-3-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 7999-0744 |
| Compound Name: | 4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-(4-methylphenyl)-3-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 463.54 |
| Molecular Formula: | C29 H25 N3 O3 |
| Smiles: | Cc1ccc(cc1)n1c2c(C(CC(N2)=O)c2ccc(c(c2)OC)OCC#C)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8198 |
| logD: | 4.8198 |
| logSw: | -4.6207 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.148 |
| InChI Key: | FZHPHTLZBMULEF-QHCPKHFHSA-N |