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    BUILDING BLOCK

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    Chemistry

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    Also known as: 886230-76-8, (e)-3-(2-(pyridin-2-yl)vinyl)-1-(tetrahydro-2h-pyran-2-yl)-1h-indazol-6-amine, 1-(oxan-2-yl)-3-[(e)-2-pyridin-2-ylethenyl]indazol-6-amine, Amy408, Schembl4053570, Schembl4053575
    Molecular Formula
    C19H20N4O
    Molecular Weight
    320.4  g/mol
    InChI Key
    NSPUYMWXWXSVAJ-CSKARUKUSA-N
    CAS 886230-76-8
    1 2D Structure

    CAS 886230-76-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine
    2.1.2 InChI
    InChI=1S/C19H20N4O/c20-14-7-9-16-17(10-8-15-5-1-3-11-21-15)22-23(18(16)13-14)19-6-2-4-12-24-19/h1,3,5,7-11,13,19H,2,4,6,12,20H2/b10-8+
    2.1.3 InChI Key
    NSPUYMWXWXSVAJ-CSKARUKUSA-N
    2.1.4 Canonical SMILES
    C1CCOC(C1)N2C3=C(C=CC(=C3)N)C(=N2)C=CC4=CC=CC=N4
    2.1.5 Isomeric SMILES
    C1CCOC(C1)N2C3=C(C=CC(=C3)N)C(=N2)/C=C/C4=CC=CC=N4
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 886230-76-8

    2. (e)-3-(2-(pyridin-2-yl)vinyl)-1-(tetrahydro-2h-pyran-2-yl)-1h-indazol-6-amine

    3. 1-(oxan-2-yl)-3-[(e)-2-pyridin-2-ylethenyl]indazol-6-amine

    4. Amy408

    5. Schembl4053570

    6. Schembl4053575

    7. D85410

    8. 230p768

    9. 3-(2-pyridin-2-yl-vinyl)-1-(tetrahydro-pyran-2-yl)-1h-indazol-6-ylamine

    2.3 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 320.4 g/mol
    Molecular Formula C19H20N4O
    XLogP32.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass320.16371127 g/mol
    Monoisotopic Mass320.16371127 g/mol
    Topological Polar Surface Area66 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity443
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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