N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | Y500-7662 |
| Compound Name: | N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 519.62 |
| Molecular Formula: | C28 H27 F2 N5 O S |
| Smiles: | CCC(C)(C)C1CCc2c(C#N)c(NC(c3cnn4c(cc(c5ccccc5)nc34)C(F)F)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2745 |
| logD: | 3.9972 |
| logSw: | -5.3585 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.03 |
| InChI Key: | PHMNXYQNYZNWDC-QGZVFWFLSA-N |