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    Dipraglurant

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 872363-17-2, Adx48621, Dipraglurant [inn], Adx-48621, Cv8jzr21a1, Chembl2346738
    Molecular Formula
    C16H12FN3
    Molecular Weight
    265.28  g/mol
    InChI Key
    LZXMUJCJAWVHPZ-UHFFFAOYSA-N
    FDA UNII
    CV8JZR21A1
    Dipraglurant has been used in trials studying the treatment of Parkinson's Disease. It is a metabotropic glutamate receptor 5 (mGluR5) negative allosteric modulator (NAM).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-fluoro-2-(4-pyridin-2-ylbut-3-ynyl)imidazo[1,2-a]pyridine
    2.1.2 InChI
    InChI=1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2
    2.1.3 InChI Key
    LZXMUJCJAWVHPZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=NC(=C1)C#CCCC2=CN3C=C(C=CC3=N2)F
    2.2 Other Identifiers
    2.2.1 UNII
    CV8JZR21A1
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6-fluoro-2-(4-(pyridin-2-yl)but-3-yn-1-yl)imidazo(1,2-a)pyridine

    2.3.2 Depositor-Supplied Synonyms

    1. 872363-17-2

    2. Adx48621

    3. Dipraglurant [inn]

    4. Adx-48621

    5. Cv8jzr21a1

    6. Chembl2346738

    7. 6-fluoro-2-[4-(pyridin-2-yl)-3-butynyl]imidazo[1,2-a]pyridine

    8. 6-fluoro-2-(4-(pyridin-2-yl)but-3-yn-1-yl)imidazo(1,2-a)pyridine

    9. 6-fluoro-2-(4-pyridin-2-ylbut-3-ynyl)imidazo[1,2-a]pyridine

    10. 6-fluoro-2-[4-(2-pyridinyl)-3-butyn-1-yl]imidazo[1,2-a]pyridine

    11. Unii-cv8jzr21a1

    12. 6-fluoro-2-(4-(pyridin-2-yl)but-3-yn-1-yl)imidazo[1,2-a]pyridine

    13. Schembl103033

    14. Gtpl6452

    15. Dtxsid90236230

    16. Bcp23706

    17. 6-fluoro-2-[4-(2-pyridinyl)-3-butyn-1-yl]-imidazo[1,2-a]pyridine

    18. Bdbm50431705

    19. Zinc72266314

    20. Cs-0690

    21. Db12733

    22. Sb16993

    23. Ncgc00351745-02

    24. Hy-14859

    25. Db-076892

    26. Ft-0705373

    27. J3.560.334d

    28. A916694

    29. Adx 48621;adx48621;adx-48621

    30. Q19596938

    31. 2-(4-{6-fluoroimidazo[1,2-a]pyridin-2-yl}but-1-yn-1-yl)pyridine

    2.4 Create Date
    2010-01-25
    3 Chemical and Physical Properties
    Molecular Weight 265.28 g/mol
    Molecular Formula C16H12FN3
    XLogP33.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass265.10152556 g/mol
    Monoisotopic Mass265.10152556 g/mol
    Topological Polar Surface Area30.2 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity386
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1