1-(3-chlorophenyl)-4-{3-methoxy-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-(3-chlorophenyl)-4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(3-chlorophenyl)-4-{3-methoxy-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: | J012-1785 |
| Compound Name: | 1-(3-chlorophenyl)-4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 407.86 |
| Molecular Formula: | C22 H18 Cl N3 O3 |
| Smiles: | COc1cc(ccc1OCC#C)C1CC(Nc2c1cnn2c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8097 |
| logD: | 3.8097 |
| logSw: | -4.4626 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.873 |
| InChI Key: | JFMKAEIGIRYSDG-KRWDZBQOSA-N |