6-ethyl-3-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide

  • Description:
  • Formula: C29H44N8O3
  • Molar mass: 552.7 g mol-1
  • InChI Key: GYQYAJJFPNQOOW-UHFFFAOYSA-N
6-ethyl-3-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide

Identifiers (12)

  • Standard InChI: InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34) (Source: PubChem)
  • IUPAC Name: 6-ethyl-3-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide (Source: PubChem)
  • PubChem CID: 49803313 (Source: PubChem)
  • SMILES String: CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5 (Source: PubChem)
  • Connectivity SMILES string: CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5 (Source: PubChem)
  • Standard InChIKey: GYQYAJJFPNQOOW-UHFFFAOYSA-N (Source: PubChem)
  • CAS Registry Number: 1254053-43-4 (Source: PubChem)
  • ChEBI ID: CHEBI:145372 (Source: PubChem)
  • ChEMBL ID: CHEMBL3301622 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID601513517 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID701027949 (Source: PubChem)
  • Wikidata ID: Q27077802 (Source: PubChem)

    • Sources: PubChem (12)

    Data (29)

  • Mass parameters: 552.3536373 (Source: PubChem)
  • Surface parameters: 121 (Source: PubChem)
  • Thermodynamic parameters: 3.5 (Source: PubChem)
  • Molecule statistics: 3 (Source: PubChem)
  • Molecule statistics: 10 (Source: PubChem)
  • Surface parameters: 40 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 9 (Source: PubChem)
  • Stuctural analysis: 785 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3.5 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 552.35363730 Da (Source: PubChem)
  • Molecule statistics: 40 (Source: PubChem)
  • Molecule statistics: 10 (Source: PubChem)
  • Molecule statistics: 3 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 785 (Source: PubChem)
  • Stuctural analysis: 425.7 (Source: PubChem)
  • Mass parameters: 552.7 g/mol (Source: PubChem)
  • Mass parameters: 552.35363730 Da (Source: PubChem)
  • Molecule statistics: 9 (Source: PubChem)
  • Surface parameters: 121 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)

    • Sources: PubChem (29)

    Information (1)

  • Chemical formula: C29H44N8O3 (Source: PubChem)

    • Sources: PubChem (1)