2-[1-(4-chloro-1H-pyrazol-1-yl)ethyl]-7-(1,5-dimethyl-1H-pyrazol-4-yl)-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[1-(4-chloro-1H-pyrazol-1-yl)ethyl]-7-(1,5-dimethyl-1H-pyrazol-4-yl)-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[1-(4-chloro-1H-pyrazol-1-yl)ethyl]-7-(1,5-dimethyl-1H-pyrazol-4-yl)-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y501-3839 |
| Compound Name: | 2-[1-(4-chloro-1H-pyrazol-1-yl)ethyl]-7-(1,5-dimethyl-1H-pyrazol-4-yl)-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 517.92 |
| Molecular Formula: | C21 H15 Cl F3 N9 S |
| Smiles: | CC(c1nc2c3c(c4c(cc(C(F)(F)F)nc4s3)c3cnn(C)c3C)ncn2n1)n1cc(cn1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0468 |
| logD: | 4.0411 |
| logSw: | -4.5871 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 69.017 |
| InChI Key: | LBLQFLDIPNDDJG-JTQLQIEISA-N |