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    (S)-2'-Oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid manufacturers and suppliers on PharmaCompass

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    (S)-2'-Oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid

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    (S)-2
    Also known as: 1375541-21-1, (6s)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid, Schembl3694253, Sb15099, Cs-0042466, (6s)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo [2,3-b]pyridine]-3-carboxylic acid
    Molecular Formula
    C15H11N3O3
    Molecular Weight
    281.27  g/mol
    InChI Key
    JZRARRAPRCNVSS-HNNXBMFYSA-N
    1 2D Structure

    (S)-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid
    2.1.2 InChI
    InChI=1S/C15H11N3O3/c19-13(20)9-4-8-5-15(6-11(8)17-7-9)10-2-1-3-16-12(10)18-14(15)21/h1-4,7H,5-6H2,(H,19,20)(H,16,18,21)/t15-/m0/s1
    2.1.3 InChI Key
    JZRARRAPRCNVSS-HNNXBMFYSA-N
    2.1.4 Canonical SMILES
    C1C2=C(CC13C4=C(NC3=O)N=CC=C4)N=CC(=C2)C(=O)O
    2.1.5 Isomeric SMILES
    C1C2=C(C[C@]13C4=C(NC3=O)N=CC=C4)N=CC(=C2)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1375541-21-1

    2. (6s)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic Acid

    3. Schembl3694253

    4. Sb15099

    5. Cs-0042466

    6. (6s)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo [2,3-b]pyridine]-3-carboxylic Acid

    7. (6s)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylicacid

    8. Spiro[6h-yclopenta[b]yridine-6,3'-3h]yrrolo[2,3-]yridine]-3-arboxylic Acid, 1',2',5,7-etrahydro-2'-xo-, (3's)-

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 281.27 g/mol
    Molecular Formula C15H11N3O3
    XLogP30.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area92.2
    Heavy Atom Count21
    Formal Charge0
    Complexity483
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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