5-(furan-2-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
5-(furan-2-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
5-(furan-2-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | Y500-3111 |
| Compound Name: | 5-(furan-2-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 542.54 |
| Molecular Formula: | C25 H21 F3 N6 O3 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1cnn3c(cc(c4ccco4)nc13)C(F)(F)F)=O)=O)c1CCCCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.2974 |
| logD: | 4.2965 |
| logSw: | -4.3161 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.448 |
| InChI Key: | PCOVIKBVRWTPSH-UHFFFAOYSA-N |