3-(4-chlorophenyl)-4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-(4-chlorophenyl)-4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 7999-0585 |
| Compound Name: | 3-(4-chlorophenyl)-4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 409.87 |
| Molecular Formula: | C22 H20 Cl N3 O3 |
| Smiles: | COc1cc(ccc1OCC=C)C1CC(Nc2c1c(c1ccc(cc1)[Cl])n[nH]2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0093 |
| logD: | 4.0093 |
| logSw: | -4.7943 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.758 |
| InChI Key: | QYPYLMCYFBXWMH-MRXNPFEDSA-N |