Analyte Name

5-(1-((2-(4-cyclopropyl-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)pyridin-4-yl)methyl)-5-methylpyrazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole

Molecular Formula

C26 D8 H18 F3 N7 O2

Molecular Weight

533.575

Accurate Mass

533.26

SMILES

[2H]C1([2H])N(C2CC2)C([2H])([2H])C([2H])([2H])N(c3cc(Cn4nc(cc4C)c5onc(n5)c6ccc(OC(F)(F)F)cc6)ccn3)C1([2H])[2H]

InChI

InChI=1S/C26H26F3N7O2/c1-17-14-22(25-31-24(33-38-25)19-2-6-21(7-3-19)37-26(27,28)29)32-36(17)16-18-8-9-30-23(15-18)35-12-10-34(11-13-35)20-4-5-20/h2-3,6-9,14-15,20H,4-5,10-13,16H2,1H3/i10D2,11D2,12D2,13D2

IUPAC

5-[1-[[2-(4-cyclopropyl-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)pyridin-4-yl]methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

Unlabelled CAS Number

1227158-85-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat