1-(4-fluorophenyl)-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
1-(4-fluorophenyl)-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(4-fluorophenyl)-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: | J012-2694 |
| Compound Name: | 1-(4-fluorophenyl)-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 361.37 |
| Molecular Formula: | C21 H16 F N3 O2 |
| Smiles: | C#CCOc1ccc(cc1)C1CC(Nc2c1cnn2c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3784 |
| logD: | 3.3784 |
| logSw: | -3.3514 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.156 |
| InChI Key: | CBSNFODORPHARE-SFHVURJKSA-N |