Chem
J-GLOBAL ID：201607012735297280   Nikkaji number：J3.524.797A

1-(2,3-Dihydro-1H-pyrrolo[2,3-b]pyridine-1-yl)-2-trifluoromethyl-3-(m-tolyl)-3-(Boc-amino)-1-propanone

1-(2,3-ジヒドロ-1H-ピロロ[2,3-b]ピリジン-1-イル)-2-トリフルオロメチル-3-(m-トリル)-3-(Boc-アミノ)-1-プロパノン
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： C23H26F3N3O3
Molecular formula furigana： C23-H26-F3-N3-O3
Molecular weight： 449.474
InChI： InChI=1S/C23H26F3N3O3/c1-14-7-5-8-16(13-14)18(28-21(31)32-22(2,3)4)17(23(24,25)26)20(30)29-12-10-15-9-6-11-27-19(15)29/h5-9,11,13,17-18H,10,12H2,1-4H3,(H,28,31)
InChI key： WKQMLLIRRZILGP-UHFFFAOYSA-N
SMILES： Cc1cccc(c1)C(NC(=O)OC(C)(C)C)C(C(=O)N1CCc2cccnc12)C(F)(F)F
Systematic name  (3)：
  • 1-(2,3-ジヒドロ-1H-ピロロ[2,3-b]ピリジン-1-イル)-2-トリフルオロメチル-3-(m-トリル)-3-(Boc-アミノ)-1-プロパノン
  • tert-ブチル N-[1-(3-メチルフェニル)-3-オキソ-3-{1H,2H,3H-ピロロ[2,3-b]ピリジン-1-イル}-2-(トリフルオロメチル)プロピル]カルバマート
  • tert-butyl N-[1-(3-methylphenyl)-3-oxo-3-{1H,2H,3H-pyrrolo[2,3-b]pyridin-1-yl}-2-(trifluoromethyl)propyl]carbamate
Other name (1)：
  • 1-(2,3-Dihydro-1H-pyrrolo[2,3-b]pyridine-1-yl)-2-trifluoromethyl-3-(m-tolyl)-3-(Boc-amino)-1-propanone
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