Chem
J-GLOBAL ID:201507087153672933   Nikkaji number:J3.371.268E

X-396

6-アミノ-5-[(1R)-1-(2,6-ジクロロ-3-フルオロフェニル)エトキシ]-N-[4-(4-メチルピペラジン-1-カルボニル)フェニル]ピリダジン-3-カルボキサミド
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: C25H25Cl2FN6O3
Molecular formula furigana: C25-H25-CL2-F-N6-O3
Molecular weight: 547.410
InChI: InChI=1S/C25H25Cl2FN6O3/c1-14(21-17(26)7-8-18(28)22(21)27)37-20-13-19(31-32-23(20)29)24(35)30-16-5-3-15(4-6-16)25(36)34-11-9-33(2)10-12-34/h3-8,13-14H,9-12H2,1-2H3,(H2,29,32)(H,30,35)/t14-/m1/s1
InChI key: ONPGOSVDVDPBCY-CQSZACIVSA-N
SMILES: C[C@@H](Oc1cc(nnc1N)C(=O)Nc1ccc(cc1)C(=O)N1CCN(C)CC1)c1c(Cl)ccc(F)c1Cl
Systematic name  (3):
  • N-(4-(4-メチルピペラジン-1-イル)(オキソメチル)フェニル)-5-((1R)-1-(2,6-ジクロロ-3-フルオロフェニル)エトキシ)-6-アミノピリダジン-3-カルボアミド
  • 6-アミノ-5-[(1R)-1-(2,6-ジクロロ-3-フルオロフェニル)エトキシ]-N-[4-(4-メチルピペラジン-1-カルボニル)フェニル]ピリダジン-3-カルボキサミド
  • 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridazine-3-carboxamide
Other name (2):
  • N-(4-(4-Methylpiperazine-1-yl)(oxomethyl)phenyl)-5-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-6-aminopyridazine-3-carboxamide
  • X-396
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