3-phenyl-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-phenyl-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-phenyl-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 7999-0590F |
| Compound Name: | 3-phenyl-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C21 H17 N3 O2 |
| Smiles: | C#CCOc1ccc(cc1)C1CC(Nc2c1c(c1ccccc1)n[nH]2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9054 |
| logD: | 2.9054 |
| logSw: | -3.3202 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.041 |
| InChI Key: | JCNQJIUOPNLNNA-KRWDZBQOSA-N |