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    CAS 1016636-76-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1016636-76-2, 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one, Mfcd13181208, 6sdd8u5f6g, 6-bromo-2-chloro-8-cyclopentyl-5-methyl-7h,8h-pyrido[2,3-d]pyrimidin-7-one, 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido-[2,3-d]pyrimidin-7(8h)-one
    Molecular Formula
    C13H13BrClN3O
    Molecular Weight
    342.62  g/mol
    InChI Key
    HJQCAEDIUJXGCQ-UHFFFAOYSA-N
    FDA UNII
    6SDD8U5F6G
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
    2.1.2 InChI
    InChI=1S/C13H13BrClN3O/c1-7-9-6-16-13(15)17-11(9)18(12(19)10(7)14)8-4-2-3-5-8/h6,8H,2-5H2,1H3
    2.1.3 InChI Key
    HJQCAEDIUJXGCQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=O)N(C2=NC(=NC=C12)Cl)C3CCCC3)Br
    2.2 Other Identifiers
    2.2.1 UNII
    6SDD8U5F6G
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1016636-76-2

    2. 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one

    3. Mfcd13181208

    4. 6sdd8u5f6g

    5. 6-bromo-2-chloro-8-cyclopentyl-5-methyl-7h,8h-pyrido[2,3-d]pyrimidin-7-one

    6. 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido-[2,3-d]pyrimidin-7(8h)-one

    7. 6-bromo-2-chloro-8-cyclopentyl-5-methyl-8h-pyrido(2,3-d)pyrimidin-7-one

    8. 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido(2,3-d)pyrimidin-7(8h)-one

    9. 6-bromo-8-cyclopentyl-2-chloro-5-methyl-8h-pyrido[2,3-d]pyrimidin-7-one

    10. Pyrido(2,3-d)pyrimidin-7(8h)-one, 6-bromo-2-chloro-8-cyclopentyl-5-methyl-

    11. Pyrido[2,3-d]pyrimidin-7(8h)-one, 6-bromo-2-chloro-8-cyclopentyl-5-methyl-

    12. 6-bromo-2-chloro-8-cyclopentyl-5-methyl-8h-pyrido[2,3-d]pyrimidin-7-one

    13. Unii-6sdd8u5f6g

    14. Schembl13202803

    15. Amy3334

    16. Dtxsid10658036

    17. Bcp09136

    18. Cs-b0329

    19. Zinc85223586

    20. Akos016007219

    21. Sb17740

    22. Ac-29707

    23. As-10041

    24. Sy058791

    25. Ft-0697067

    26. Ft-0697068

    27. A856446

    28. 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8h)-one, Aldrichcpr

    29. Pyrido[2,3-d]pyrimidin-7(8h)-one,6-bromo-2-chloro-8-cyclopentyl-5-methyl-

    2.4 Create Date
    2009-11-09
    3 Chemical and Physical Properties
    Molecular Weight 342.62 g/mol
    Molecular Formula C13H13BrClN3O
    XLogP33.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass340.99305 g/mol
    Monoisotopic Mass340.99305 g/mol
    Topological Polar Surface Area46.1 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity422
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1