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    CA-4948

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 103Xls

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    2D Structure
    Also known as: Ca-4948, 1801343-74-7, Irak4-in-7, Chembl4747796, 6'-amino-n-[2-(morpholin-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-[2,3'-bipyridine]-6-carboxamide, 6-(6-aminopyridin-3-yl)-n-(2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
    Molecular Formula
    C21H19N7O3
    Molecular Weight
    417.4  g/mol
    InChI Key
    RWIMETUXCNDSLE-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-(6-aminopyridin-3-yl)-N-(2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
    2.1.2 InChI
    InChI=1S/C21H19N7O3/c22-18-5-4-13(11-23-18)15-2-1-3-16(26-15)20(29)25-14-10-17-19(24-12-14)27-21(31-17)28-6-8-30-9-7-28/h1-5,10-12H,6-9H2,(H2,22,23)(H,25,29)
    2.1.3 InChI Key
    RWIMETUXCNDSLE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1COCCN1C2=NC3=C(O2)C=C(C=N3)NC(=O)C4=CC=CC(=N4)C5=CN=C(C=C5)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Ca-4948

    2. 1801343-74-7

    3. Irak4-in-7

    4. Chembl4747796

    5. 6'-amino-n-[2-(morpholin-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-[2,3'-bipyridine]-6-carboxamide

    6. 6-(6-aminopyridin-3-yl)-n-(2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide

    7. Schembl16896371

    8. Dtxsid501339192

    9. Bxc34374

    10. Ex-a2944

    11. Bdbm50547966

    12. Mfcd31619276

    13. S8562

    14. Akos037648966

    15. Ccg-268858

    16. Bs-16135

    17. Hy-109585

    18. Cs-0032273

    19. N16974

    20. A931214

    21. 6'-amino-n-[2-(4-morpholinyl)oxazolo[4,5-b]pyridin-6-yl][2,3'-bipyridine]-6-carboxamide

    2.3 Create Date
    2016-02-23
    3 Chemical and Physical Properties
    Molecular Weight 417.4 g/mol
    Molecular Formula C21H19N7O3
    XLogP31.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count4
    Exact Mass417.15493749 g/mol
    Monoisotopic Mass417.15493749 g/mol
    Topological Polar Surface Area132 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity620
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1