4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-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}-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}-3-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 7999-0588 |
| Compound Name: | 4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C22 H19 N3 O3 |
| Smiles: | COc1cc(ccc1OCC#C)C1CC(Nc2c1c(c1ccccc1)n[nH]2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7314 |
| logD: | 2.7314 |
| logSw: | -3.3404 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.758 |
| InChI Key: | CYNOINIFCIZBFS-INIZCTEOSA-N |