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    Also known as: 1209456-28-9, 2-oxo-1-(4-piperidinyl)-2,3-dihydro-1h-imidazo[4,5-b]pyridine dihydrochloride, Schembl829108, Akos022186574
    Molecular Formula
    C11H15ClN4O
    Molecular Weight
    254.71  g/mol
    InChI Key
    HRKQNYBSCATNDG-UHFFFAOYSA-N
    CAS 1209456-28-9
    1 2D Structure

    CAS 1209456-28-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C11H14N4O.ClH/c16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8;/h1-2,5,8,12H,3-4,6-7H2,(H,13,14,16);1H
    2.1.3 InChI Key
    HRKQNYBSCATNDG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCC1N2C3=C(NC2=O)N=CC=C3.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1209456-28-9

    2. 2-oxo-1-(4-piperidinyl)-2,3-dihydro-1h-imidazo[4,5-b]pyridine Dihydrochloride

    3. Schembl829108

    4. Akos022186574

    2.3 Create Date
    2010-07-06
    3 Chemical and Physical Properties
    Molecular Weight 254.71 g/mol
    Molecular Formula C11H15ClN4O
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass254.0934388 g/mol
    Monoisotopic Mass254.0934388 g/mol
    Topological Polar Surface Area57.3 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity277
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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