2-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y509-0386 |
| Compound Name: | 2-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 470.42 |
| Molecular Formula: | C20 H17 F3 N10 O |
| Smiles: | CCn1c(cc(C(F)(F)F)n1)c1nc2C3C(c4cnn(C)c4)c4c(n[nH]c4C)OC=3N=Cn2n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7149 |
| logD: | -0.9035 |
| logSw: | -1.9067 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.328 |
| InChI Key: | HAAAMVXFUITGBE-AWEZNQCLSA-N |