Chem
J-GLOBAL ID：201407060699328360   Nikkaji number：J3.309.603H

GNE-9605

N′-メチル-N-[1-[1-(オキセタン-3-イル)-3α-フルオロピペリジン-4β-イル]-5-クロロ-1H-ピラゾール-4-イル]-5-(トリフルオロメチル)ピリミジン-2,4-ジアミン
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： C17H20ClF4N7O
Molecular formula furigana： C17-H20-CL-F4-N7-O
Molecular weight： 449.840
InChI： InChI=1S/C17H20ClF4N7O/c1-23-15-10(17(20,21)22)4-24-16(27-15)26-12-5-25-29(14(12)18)13-2-3-28(6-11(13)19)9-7-30-8-9/h4-5,9,11,13H,2-3,6-8H2,1H3,(H2,23,24,26,27)/t11-,13-/m0/s1
InChI key： PUXPEQJKNAWNQA-AAEUAGOBSA-N
SMILES： CNc1nc(Nc2cnn([C@H]3CCN(C[C@@H]3F)C3COC3)c2Cl)ncc1C(F)(F)F
Systematic name  (3)：
  • N′-メチル-N-[1-[1-(オキセタン-3-イル)-3α-フルオロピペリジン-4β-イル]-5-クロロ-1H-ピラゾール-4-イル]-5-(トリフルオロメチル)ピリミジン-2,4-ジアミン
  • N2-{5-クロロ-1-[(3S,4S)-3-フルオロ-1-(オキセタン-3-イル)ピペリジン-4-イル]-1H-ピラゾール-4-イル}-N4-メチル-5-(トリフルオロメチル)ピリミジン-2,4-ジアミン
  • N2-{5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrazol-4-yl}-N4-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
Other name (2)：
  • N′-Methyl-N-[1-[1-(oxetane-3-yl)-3α-fluoropiperidine-4β-yl]-5-chloro-1H-pyrazole-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
  • GNE-9605
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