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    Pidnarulex

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    DIGITAL CONTENT

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    2D Structure
    Also known as: Pidnarulex hydrochloride, Cx-5461 hydrochloride, 2101314-20-7, S2l1qgg7y7, 5h-benzothiazolo(3,2-a)(1,8)naphthyridine-6-carboxamide, 2-(hexahydro-4-methyl-1h-1,4-diazepin-1-yl)-n-((5-methyl-2-pyrazinyl)methyl)-5-oxo-, hydrochloride (1:1), Unii-s2l1qgg7y7
    Molecular Formula
    C27H28ClN7O2S
    Molecular Weight
    550.1  g/mol
    InChI Key
    YCGHUQKYOCALNJ-UHFFFAOYSA-N
    FDA UNII
    S2L1QGG7Y7
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C27H27N7O2S.ClH/c1-17-14-29-18(15-28-17)16-30-26(36)23-24(35)19-8-9-22(33-11-5-10-32(2)12-13-33)31-25(19)34-20-6-3-4-7-21(20)37-27(23)34;/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3,(H,30,36);1H
    2.1.3 InChI Key
    YCGHUQKYOCALNJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)C.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    S2L1QGG7Y7
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Pidnarulex Hydrochloride

    2. Cx-5461 Hydrochloride

    3. 2101314-20-7

    4. S2l1qgg7y7

    5. 5h-benzothiazolo(3,2-a)(1,8)naphthyridine-6-carboxamide, 2-(hexahydro-4-methyl-1h-1,4-diazepin-1-yl)-n-((5-methyl-2-pyrazinyl)methyl)-5-oxo-, Hydrochloride (1:1)

    6. Unii-s2l1qgg7y7

    7. 2-(4-methyl-1,4-diazepan-1-yl)-n-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;hydrochloride

    2.4 Create Date
    2017-10-25
    3 Chemical and Physical Properties
    Molecular Weight 550.1 g/mol
    Molecular Formula C27H28ClN7O2S
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count4
    Exact Mass549.1713720 g/mol
    Monoisotopic Mass549.1713720 g/mol
    Topological Polar Surface Area120 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity915
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2