4-[1-(1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile
Chemical Structure Depiction of
4-[1-(1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile
4-[1-(1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile
Compound characteristics
Compound ID: | J094-0025 |
Compound Name: | 4-[1-(1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile |
Molecular Weight: | 385.45 |
Molecular Formula: | C21 H15 N5 O S |
Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3s2)n1)=O)c1ccc(C#N)cc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.675 |
logD: | 3.6731 |
logSw: | -3.9785 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.683 |
InChI Key: | JPKHBGZFKXGAFU-HNNXBMFYSA-N |