ethyl 2-{[1,3-dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[1,3-dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[1,3-dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0335 |
| Compound Name: | ethyl 2-{[1,3-dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 506.63 |
| Molecular Formula: | C26 H30 N6 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cc(c2c(C)nn(C)c2C)nc2c1c(C)nn2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2391 |
| logD: | 0.5999 |
| logSw: | -3.8733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.183 |
| InChI Key: | XVCVYEZGHUAKIE-UHFFFAOYSA-N |