4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D361-0051 |
| Compound Name: | 4-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C17 H17 N3 O3 |
| Smiles: | Cc1c2C(CC(Nc2[nH]n1)=O)c1ccc(c(c1)OC)OCC#C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3631 |
| logD: | 1.3627 |
| logSw: | -2.0742 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.836 |
| InChI Key: | UVFHOOGAEYIUFI-LBPRGKRZSA-N |