4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-(4-methylphenyl)-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)-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)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J012-3134 |
| Compound Name: | 4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-(4-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C23 H21 N3 O3 |
| Smiles: | Cc1ccc(cc1)n1c2c(cn1)C(CC(N2)=O)c1ccc(c(c1)OC)OCC#C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5986 |
| logD: | 3.5986 |
| logSw: | -3.5507 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.873 |
| InChI Key: | YTLMYVUJJSKWAD-SFHVURJKSA-N |