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    Chemistry

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    Also known as: Lxe408, 1799330-15-6, Chembl4748352, Lxe-408, 5-oxazolecarboxamide, n-(4-fluoro-3-(6-(3-methyl-2-pyridinyl)(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)phenyl)-2,4-dimethyl-, N-(4-fluoro-3-(6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl)-2,4-dimethyloxazole-5-carboxamide
    Molecular Formula
    C23H18FN7O2
    Molecular Weight
    443.4  g/mol
    InChI Key
    GNVVPYCWVLCWKV-UHFFFAOYSA-N
    FDA UNII
    OIK6I0DA01
    LXE408
    1 2D Structure

    LXE408

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[4-fluoro-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
    2.1.2 InChI
    InChI=1S/C23H18FN7O2/c1-12-5-4-8-25-19(12)15-10-26-23-29-21(30-31(23)11-15)17-9-16(6-7-18(17)24)28-22(32)20-13(2)27-14(3)33-20/h4-11H,1-3H3,(H,28,32)
    2.1.3 InChI Key
    GNVVPYCWVLCWKV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(N=CC=C1)C2=CN3C(=NC(=N3)C4=C(C=CC(=C4)NC(=O)C5=C(N=C(O5)C)C)F)N=C2
    2.2 Other Identifiers
    2.2.1 UNII
    OIK6I0DA01
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Lxe408

    2. N-(4-fluoro-3-(6-(3-methylpyridin-2-yl)-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)phenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

    2.3.2 Depositor-Supplied Synonyms

    1. Lxe408

    2. 1799330-15-6

    3. Chembl4748352

    4. Lxe-408

    5. 5-oxazolecarboxamide, N-(4-fluoro-3-(6-(3-methyl-2-pyridinyl)(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)phenyl)-2,4-dimethyl-

    6. N-(4-fluoro-3-(6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl)-2,4-dimethyloxazole-5-carboxamide

    7. Unii-oik6i0da01

    8. Schembl16822697

    9. Bdbm50546340

    10. Hy-131350

    11. Cs-0133456

    2.4 Create Date
    2016-02-23
    3 Chemical and Physical Properties
    Molecular Weight 443.4 g/mol
    Molecular Formula C23H18FN7O2
    XLogP33.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count4
    Exact Mass443.15060100 g/mol
    Monoisotopic Mass443.15060100 g/mol
    Topological Polar Surface Area111 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity702
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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