1-(6-methoxy-1,3-benzothiazol-2-yl)-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
1-(6-methoxy-1,3-benzothiazol-2-yl)-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
1-(6-methoxy-1,3-benzothiazol-2-yl)-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: | J081-2447 |
| Compound Name: | 1-(6-methoxy-1,3-benzothiazol-2-yl)-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: | 474.54 |
| Molecular Formula: | C25 H22 N4 O4 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccc(cc3s2)OC)n1)=O)c1ccc(c(c1)OC)OCC#C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9825 |
| logD: | 3.8998 |
| logSw: | -4.2311 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.305 |
| InChI Key: | HWOSZYXTMLUHNR-KRWDZBQOSA-N |