Chem
J-GLOBAL ID：201707000333002011   Nikkaji number：J3.611.606D

GDC-0994

1-[(1S)-1-(4-クロロ-3-フルオロフェニル)-2-ヒドロキシエチル]-4-[2-[(2-メチル-2H-ピラゾール-3-イル)アミノ]ピリミジン-4-イル]ピリジン-2-オン
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： C21H18ClFN6O2
Molecular formula furigana： C21-H18-CL-F-N6-O2
Molecular weight： 440.860
InChI： InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1
InChI key： RZUOCXOYPYGSKL-GOSISDBHSA-N
SMILES： Cn1nccc1Nc1nccc(n1)c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Systematic name  (4)：
  • 1-[(αS)-α-(ヒドロキシメチル)-3-フルオロ-4-クロロベンジル]-4-[2-[(1-メチル-1H-ピラゾール-5-イル)アミノ]-4-ピリミジニル]ピリジン-2(1H)-オン
  • 1-[(1S)-1-(4-クロロ-3-フルオロフェニル)-2-ヒドロキシエチル]-4-[2-[(2-メチル-2H-ピラゾール-3-イル)アミノ]ピリミジン-4-イル]ピリジン-2-オン
  • 1-[(1S)-1-(4-クロロ-3-フルオロフェニル)-2-ヒドロキシエチル]-4-{2-[(1-メチル-1H-ピラゾール-5-イル)アミノ]ピリミジン-4-イル}-1,2-ジヒドロピリジン-2-オン
  • 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-{2-[(1-methyl-1H-pyrazol-5-yl)amino]pyrimidin-4-yl}-1,2-dihydropyridin-2-one
Other name (3)：
  • 1-[(αS)-α-(Hydroxymethyl)-3-fluoro-4-chlorobenzyl]-4-[2-[(1-methyl-1H-pyrazole-5-yl)amino]-4-pyrimidinyl]pyridine-2(1H)-one
  • 1-[(1S)-1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methyl-2H-pyrazole-3-yl)amino]pyrimidine-4-yl]pyridine-2-one
  • GDC-0994
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