Chem
J-GLOBAL ID：201607014162485616   Nikkaji number：J3.524.802A

(2R)-1-(2,3-Dihydro-1H-pyrrolo[2,3-b]pyridine-1-yl)-2-fluoro-2-trifluoromethyl-3-phenyl-3-(Boc-amino)-1-propanone

(2R)-1-(2,3-ジヒドロ-1H-ピロロ[2,3-b]ピリジン-1-イル)-2-フルオロ-2-トリフルオロメチル-3-フェニル-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： C22H23F4N3O3
Molecular formula furigana： C22-H23-F4-N3-O3
Molecular weight： 453.438
InChI： InChI=1S/C22H23F4N3O3/c1-20(2,3)32-19(31)28-16(14-8-5-4-6-9-14)21(23,22(24,25)26)18(30)29-13-11-15-10-7-12-27-17(15)29/h4-10,12,16H,11,13H2,1-3H3,(H,28,31)/t16?,21-/m1/s1
InChI key： SHFGVXVPPJKFQM-CAWMZFRYSA-N
SMILES： CC(C)(C)OC(=O)NC(c1ccccc1)[C@@](F)(C(=O)N1CCc2cccnc12)C(F)(F)F
Systematic name  (3)：
  • (2R)-1-(2,3-ジヒドロ-1H-ピロロ[2,3-b]ピリジン-1-イル)-2-フルオロ-2-トリフルオロメチル-3-フェニル-3-(Boc-アミノ)-1-プロパノン
  • tert-ブチル N-[(2R)-2-フルオロ-3-オキソ-1-フェニル-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-[(2R)-2-fluoro-3-oxo-1-phenyl-3-{1H,2H,3H-pyrrolo[2,3-b]pyridin-1-yl}-2-(trifluoromethyl)propyl]carbamate
Other name (1)：
  • (2R)-1-(2,3-Dihydro-1H-pyrrolo[2,3-b]pyridine-1-yl)-2-fluoro-2-trifluoromethyl-3-phenyl-3-(Boc-amino)-1-propanone
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