4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0517 |
| Compound Name: | 4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 422.51 |
| Molecular Formula: | C21 H22 N6 O2 S |
| Smiles: | CCn1c(C)c(cn1)C1CC(Nc2c1c(C)nn2c1nc2ccc(cc2s1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9914 |
| logD: | 2.9088 |
| logSw: | -3.2934 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.095 |
| InChI Key: | WSIFNXYSWBRKJQ-CQSZACIVSA-N |