2-[1-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-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-5-(trifluoromethyl)-1H-pyrazol-3-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-5-(trifluoromethyl)-1H-pyrazol-3-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: | Y509-0387 |
| Compound Name: | 2-[1-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-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(c2nc3C4C(c5cnn(C)c5)c5c(n[nH]c5C)OC=4N=Cn3n2)n1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7149 |
| logD: | -1.3294 |
| logSw: | -1.9067 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.328 |
| InChI Key: | TUMIKDPCNQKHOW-AWEZNQCLSA-N |