rel-(5R,7S)-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 6466-1057 |
| Compound Name: | rel-(5R,7S)-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 465.45 |
| Molecular Formula: | C20 H18 F3 N5 O3 S |
| Smiles: | C1Cc2c(C(N)=O)c(NC(c3cc4N[C@H](C[C@@H](C(F)(F)F)n4n3)c3ccco3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2433 |
| logD: | 1.8496 |
| logSw: | -3.0708 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.576 |
| InChI Key: | NCNIWAPIKKFPGN-QMTHXVAHSA-N |