Chem
J-GLOBAL ID:201707008513433585   Nikkaji number:J3.590.729G

Upadacitinib

ウパダシチニブ
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C17H19F3N6O
Molecular formula furigana: C17-H19-F3-N6-O
Molecular weight: 380.375
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
InChI key: WYQFJHHDOKWSHR-MNOVXSKESA-N
SMILES: CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F
Systematic name  (4):
  • N-(2,2,2-トリフルオロエチル)-3β-エチル-4β-(3H-4,6,8a-トリアザシクロペンタ[e]インドール-8-イル)ピロリジン-1-カルボアミド
  • (3R)-N-(2,2,2-トリフルオロエチル)-3α-(3H-3,4,6,8a-テトラアザ-as-インダセン-8-イル)-4α-エチルピロリジン-1-カルボアミド
  • (3S,4R)-3-エチル-4-{1,5,7,10-テトラアザトリシクロ[7.3.0.02,6]ドデカ-2(6),3,7,9,11-ペンタエン-12-イル}-N-(2,2,2-トリフルオロエチル)ピロリジン-1-カルボキサミド
  • (3S,4R)-3-ethyl-4-{1,5,7,10-tetraazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl}-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
Other name (7):
  • N-(2,2,2-Trifluoroethyl)-3β-ethyl-4β-(3H-4,6,8a-triazacyclopenta[e]indole-8-yl)pyrrolidine-1-carboxamide
  • ABT-494
  • ウパダシチニブ
  • Upadacitinib
  • (3R)-N-(2,2,2-Trifluoroethyl)-3α-(3H-3,4,6,8a-tetraaza-as-indacene-8-yl)-4α-ethylpyrrolidine-1-carboxamide
Show all
Application (1):
antirheumatic drug
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