Chem
J-GLOBAL ID：201607017907865539
Nikkaji number：J3.463.987F
N-(2,2,2-Trifluoroethyl)-Nα-(2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-yl)-5-fluoro-4-pyrimidinyl)alaninamide
N-(2,2,2-トリフルオロエチル)-Nα-(2-(5-クロロ-1H-ピロロ[2,3-b]ピリジン-3-イル)-5-フルオロ-4-ピリミジニル)アラニンアミド
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
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
Molecular formula： C16H13ClF4N6O
Molecular formula furigana： C16-H13-CL-F4-N6-O
Molecular weight： 416.760
InChI：
InChI=1S/C16H13ClF4N6O/c1-7(15(28)25-6-16(19,20)21)26-14-11(18)5-24-13(27-14)10-4-23-12-9(10)2-8(17)3-22-12/h2-5,7H,6H2,1H3,(H,22,23)(H,25,28)(H,24,26,27)/t7-/m0/s1
InChI key：
JWSTVRZOAIEUAO-ZETCQYMHSA-N
SMILES：
C[C@H](Nc1nc(ncc1F)c1c[nH]c2ncc(Cl)cc12)C(=O)NCC(F)(F)F
Systematic name (3)：
- N-(2,2,2-トリフルオロエチル)-Nα-(2-(5-クロロ-1H-ピロロ[2,3-b]ピリジン-3-イル)-5-フルオロ-4-ピリミジニル)アラニンアミド
- (2S)-2-[(2-{5-クロロ-1H-ピロロ[2,3-b]ピリジン-3-イル}-5-フルオロピリミジン-4-イル)アミノ]-N-(2,2,2-トリフルオロエチル)プロパンアミド
- (2S)-2-[(2-{5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}-5-fluoropyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
- N-(2,2,2-Trifluoroethyl)-Nα-(2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-yl)-5-fluoro-4-pyrimidinyl)alaninamide
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