1,3-diphenyl-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
1,3-diphenyl-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1,3-diphenyl-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: | 7999-0659 |
| Compound Name: | 1,3-diphenyl-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C27 H21 N3 O2 |
| Smiles: | C#CCOc1ccc(cc1)C1CC(Nc2c1c(c1ccccc1)nn2c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4489 |
| logD: | 4.4489 |
| logSw: | -4.4318 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.431 |
| InChI Key: | DHFIHOFAHJLYDH-QHCPKHFHSA-N |