1-(1,3-benzothiazol-2-yl)-4-{3-[(3-fluorophenyl)methoxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)-4-{3-[(3-fluorophenyl)methoxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-4-{3-[(3-fluorophenyl)methoxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0254 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-{3-[(3-fluorophenyl)methoxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C27 H21 F N4 O2 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3s2)n1)=O)c1cccc(c1)OCc1cccc(c1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6824 |
| logD: | 5.6805 |
| logSw: | -5.5142 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.854 |
| InChI Key: | SMXIDZZRGGNVNU-NRFANRHFSA-N |