3-[4-[(2R)-2-aminopropoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine

  • Description:
  • Formula: C23H24FN5O
  • Molar mass: 405.5 g mol-1
  • InChI Key: HEVHTYMYEMEBPX-HZPDHXFCSA-N
3-[4-[(2R)-2-aminopropoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine

Identifiers (13)

  • Connectivity SMILES string: CC(COC1=CC=C(C=C1)C2=CN=C3N2N=C(C=C3)NC(C)C4=CC(=CC=C4)F)N (Source: PubChem)
  • SMILES String: C[C@H](COC1=CC=C(C=C1)C2=CN=C3N2N=C(C=C3)N[C@H](C)C4=CC(=CC=C4)F)N (Source: PubChem)
  • IUPAC Name: 3-[4-[(2R)-2-aminopropoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine (Source: PubChem)
  • Standard InChI: InChI=1S/C23H24FN5O/c1-15(25)14-30-20-8-6-17(7-9-20)21-13-26-23-11-10-22(28-29(21)23)27-16(2)18-4-3-5-19(24)12-18/h3-13,15-16H,14,25H2,1-2H3,(H,27,28)/t15-,16-/m1/s1 (Source: PubChem)
  • Standard InChIKey: HEVHTYMYEMEBPX-HZPDHXFCSA-N (Source: PubChem)
  • CAS Registry Number: 1505514-27-1 (Source: PubChem)
  • ChEMBL ID: CHEMBL4650989 (Source: PubChem)
  • Connectivity SMILES string: C[C@@H](N)COc1ccc(-c2cnc3ccc(N[C@H](C)c4cccc(F)c4)nn23)cc1 (Source: ChEMBL)
  • International Nonproprietary Name: Taletrectinib (Source: ChEMBL)
  • Preferred Name: TALETRECTINIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C23H24FN5O/c1-15(25)14-30-20-8-6-17(7-9-20)21-13-26-23-11-10-22(28-29(21)23)27-16(2)18-4-3-5-19(24)12-18/h3-13,15-16H,14,25H2,1-2H3,(H,27,28)/t15-,16-/m1/s1 (Source: ChEMBL)
  • Standard InChIKey: HEVHTYMYEMEBPX-HZPDHXFCSA-N (Source: ChEMBL)
  • US Adopted Name: Taletrectinib (Source: ChEMBL)

    • Sources: PubChem (7) ChEMBL (6)

    Data (31)

  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3.8 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 405.19648857 Da (Source: PubChem)
  • Molecule statistics: 30 (Source: PubChem)
  • Molecule statistics: 6 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 532 (Source: PubChem)
  • Stuctural analysis: 317.6 (Source: PubChem)
  • Mass parameters: 405.5 g/mol (Source: PubChem)
  • Mass parameters: 405.19648857 Da (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Surface parameters: 77.5 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 4 (Source: ChEMBL)
  • Thermodynamic parameters: 4.43 (Source: ChEMBL)
  • Molecule statistics: 30 (Source: ChEMBL)
  • Molecule statistics: 6 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)
  • Mass parameters: 405.48 g/mol (Source: ChEMBL)
  • Mass parameters: 405.48 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.67 (Source: ChEMBL)
  • Molecule statistics: 77.47 (Source: ChEMBL)
  • Molecule statistics: 0.48 (Source: ChEMBL)
  • Molecule statistics: 7 (Source: ChEMBL)

    • Sources: PubChem (20) ChEMBL (11)

    Information (7)

  • Chemical formula: C23H24FN5O (Source: PubChem)
  • Chirality: 1 (Source: ChEMBL)
  • Chemical formula: C23H24FN5O (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: tyrosine kinase inhibitors: tropomyosin receptor kinase (TRK) inhibitors (Source: ChEMBL)
  • USAN STEM: -tinib (Source: ChEMBL)

    • Sources: PubChem (1) ChEMBL (6)