4-[3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile
Chemical Structure Depiction of
4-[3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile
4-[3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile
Compound characteristics
| Compound ID: | J094-0454 |
| Compound Name: | 4-[3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C22 H17 N5 O S |
| Smiles: | Cc1ccc2c(c1)sc(n2)n1c2c(C(CC(N2)=O)c2ccc(C#N)cc2)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0637 |
| logD: | 4.0583 |
| logSw: | -4.113 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.683 |
| InChI Key: | QFKMDFREWOGULU-INIZCTEOSA-N |