(3S,4R)-3-Ethyl-4-(3H-imidazo[1,2-A]pyrrolo[2,3-E]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)-1-pyrrolidinecarboxamide

C17H19F3N6OCAS 1310726-60-3380.38 g/mol

NOHNFFFNNHNN
Alkyl halide

Properties

Molecular formula
C17H19F3N6O
Molar mass
380.38 g/mol
Exact mass
380.1572 Da
logP
3.11Crippen estimate
Polar surface area
81.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
1310726-60-3
SMILES
CC[C@@H]1CN(C(O)=NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12
InChIKey
WYQFJHHDOKWSHR-MNOVXSKESA-N
InChI
InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1-Pyrrolidinecarboxamide, 3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)-, (3S,4R)-
  • Rel-(-)-(3S,4R)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
  • Upadacitinib
  • ABT 494
  • Rinvoq

Work with (3S,4R)-3-Ethyl-4-(3H-imidazo[1,2-A]pyrrolo[2,3-E]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)-1-pyrrolidinecarboxamide

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