3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-{3-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-{3-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-{3-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-2254 |
| Compound Name: | 3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-{3-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C24 H20 N4 O2 S |
| Smiles: | Cc1ccc2c(c1)sc(n2)n1c2c(C(CC(N2)=O)c2cccc(c2)OCC#C)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.564 |
| logD: | 4.5587 |
| logSw: | -4.4496 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.044 |
| InChI Key: | WFTMHNRREFUOFH-SFHVURJKSA-N |