1-(4-fluorophenyl)-4-{3-methoxy-2-[(prop-2-en-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-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(4-fluorophenyl)-4-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J012-2684 |
| Compound Name: | 1-(4-fluorophenyl)-4-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C22 H20 F N3 O3 |
| Smiles: | COc1cccc(C2CC(Nc3c2cnn3c2ccc(cc2)F)=O)c1OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8329 |
| logD: | 3.8329 |
| logSw: | -3.9921 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.96 |
| InChI Key: | XEBQADRORVJFNS-KRWDZBQOSA-N |