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    AZD4547

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    2D Structure
    Also known as: Azd4547, 1035270-39-3, Azd 4547, N-(5-(3,5-dimethoxyphenethyl)-1h-pyrazol-3-yl)-4-((3s,5r)-3,5-dimethylpiperazin-1-yl)benzamide, 2167og1ekj, Chebi:63453
    Molecular Formula
    C26H33N5O3
    Molecular Weight
    463.6  g/mol
    InChI Key
    VRQMAABPASPXMW-HDICACEKSA-N
    FDA UNII
    2167OG1EKJ
    FGFR Inhibitor AZD4547 is an orally bioavailable inhibitor of the fibroblast growth factor receptor (FGFR) with potential antineoplastic activity. FGFR inhibitor AZD4547 binds to and inhibits FGFR, which may result in the inhibition of FGFR-related signal transduction pathways, and, so, the inhibition of tumor cell proliferation and tumor cell death. FGFR, up-regulated in many tumor cell types, is a receptor tyrosine kinase essential to tumor cellular proliferation, differentiation and survival.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide
    2.1.2 InChI
    InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+
    2.1.3 InChI Key
    VRQMAABPASPXMW-HDICACEKSA-N
    2.1.4 Canonical SMILES
    CC1CN(CC(N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC
    2.1.5 Isomeric SMILES
    C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC
    2.2 Other Identifiers
    2.2.1 UNII
    2167OG1EKJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Azd4547

    2. N-(5-(2-(3,5-dimethoxyphenyl)ethyl)-2h-pyrazol-3-yl)-4-(3,5-diemthylpiperazin-1-yl)benzamide

    2.3.2 Depositor-Supplied Synonyms

    1. Azd4547

    2. 1035270-39-3

    3. Azd 4547

    4. N-(5-(3,5-dimethoxyphenethyl)-1h-pyrazol-3-yl)-4-((3s,5r)-3,5-dimethylpiperazin-1-yl)benzamide

    5. 2167og1ekj

    6. Chebi:63453

    7. Rel-n-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl]-4-[(3r,5s)-3,5-dimethyl-1-piperazinyl]benzamide

    8. Kb-74810

    9. N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl]-4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]benzamide

    10. N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-5-yl}-4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]benzamide

    11. N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl}-4-(cis-3,5-dimethylpiperazin-1-yl)benzamide

    12. N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl}-4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]benzamide

    13. Unii-2167og1ekj

    14. 66t

    15. Schembl63884

    16. Absk091

    17. N-(5-(3,5-dimethoxyphenethyl)-1h-pyrazol-3-yl)-4-((3r,5s)-rel-3,5-dimethylpiperazin-1-yl)benzamide

    18. Absk-091

    19. Gtpl7707

    20. Schembl15250892

    21. Dtxsid80145887

    22. Azd 4547 [who-dd]

    23. Amy16612

    24. Ex-a1578

    25. Mfcd22580423

    26. Nsc764239

    27. Nsc765338

    28. Nsc799346

    29. S2801

    30. Zinc95616598

    31. Akos024464898

    32. Bcp9000364

    33. Ccg-269382

    34. Cs-0971

    35. Db12247

    36. Nsc-764239

    37. Nsc-765338

    38. Nsc-799346

    39. Ncgc00346713-01

    40. Ncgc00346713-05

    41. Ac-28442

    42. As-17054

    43. Hy-13330

    44. Rel-n-(5-(3,5-dimethoxyphenethyl)-1h-pyrazol-3-yl)-4-((3r,5s)-3,5-dimethylpiperazin-1-yl)benzamide

    45. Sw219341-1

    46. J-000994

    47. J-524217

    48. Q27074746

    49. Benzamide, N-(5-(2-(3,5-dimethoxyphenyl)ethyl)-1h-pyrazol-3-yl)-4-((3r,5s)-3,5-dimethyl-1-piperazinyl)-, Rel-

    50. N-(5-(3,5-dimethoxyphenethyl)-1h-pyrazol-3-yl)-4-((3r,5s)-3,5-dimethylpiperazin-1-yl)benzamide, Rel-

    51. N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl]-4-[(3s,5r)-3,5-dimethylpiperazin-1-yl]benzamide

    52. N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2h-pyrazol-3-yl]-4-[(3r,5s)-3,5-dimethylpiperazin -1-yl]benzamide

    53. N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2h-pyrazol-3-yl]-4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]benzamide

    2.4 Create Date
    2011-04-25
    3 Chemical and Physical Properties
    Molecular Weight 463.6 g/mol
    Molecular Formula C26H33N5O3
    XLogP33.9
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass463.25833993 g/mol
    Monoisotopic Mass463.25833993 g/mol
    Topological Polar Surface Area91.5 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity622
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1