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    AZD7594

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    2D Structure
    Also known as: Azd7594, Azd-7594, 1196509-60-0, 3-(5-((1r,2s)-2-(2,2-difluoropropanamido)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propoxy)-1h-indazol-1-yl)-n-((r)-tetrahydrofuran-3-yl)benzamide, 3-[5-[(1r,2s)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-n-[(3r)-oxolan-3-yl]benzamide, Az13189620
    Molecular Formula
    C32H32F2N4O6
    Molecular Weight
    606.6  g/mol
    InChI Key
    ZZWJKLGCDHYVMB-BWGXUDETSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[5-[(1R,2S)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-N-[(3R)-oxolan-3-yl]benzamide
    2.1.2 InChI
    InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1
    2.1.3 InChI Key
    ZZWJKLGCDHYVMB-BWGXUDETSA-N
    2.1.4 Canonical SMILES
    CC(C(C1=CC2=C(C=C1)OCCO2)OC3=CC4=C(C=C3)N(N=C4)C5=CC=CC(=C5)C(=O)NC6CCOC6)NC(=O)C(C)(F)F
    2.1.5 Isomeric SMILES
    C[C@@H]([C@@H](C1=CC2=C(C=C1)OCCO2)OC3=CC4=C(C=C3)N(N=C4)C5=CC=CC(=C5)C(=O)N[C@@H]6CCOC6)NC(=O)C(C)(F)F
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 3-(5-((1r,2s)-2-((2,2-difluoropropanoyl)amino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy)-1h-indazol-1-yl)-n-((3r)-tetrahydro-3-furanyl)benzamide

    2. Azd7594

    3. Benzamide, 3-(5-((1r,2s)-2-((2,2-difluoro-1-oxopropyl)amino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy)-1h-indazol-1-yl)-n-((3r)-tetrahydro-3-furanyl)-

    2.2.2 Depositor-Supplied Synonyms

    1. Azd7594

    2. Azd-7594

    3. 1196509-60-0

    4. 3-(5-((1r,2s)-2-(2,2-difluoropropanamido)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propoxy)-1h-indazol-1-yl)-n-((r)-tetrahydrofuran-3-yl)benzamide

    5. 3-[5-[(1r,2s)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-n-[(3r)-oxolan-3-yl]benzamide

    6. Az13189620

    7. Azd 7594

    8. Gtpl9325

    9. Schembl1456757

    10. Chembl3666807

    11. Bdbm141372

    12. Amy16844

    13. Ex-a1939

    14. Akos037648545

    15. Compound 15m [pmid: 28937774]

    16. Bs-14536

    17. Hy-111453

    18. Cs-0040937

    19. Us8916600, 6

    20. Az13189620az13189620

    21. 3-{5-[(1r,2s)-2-(2,2-difluoropropanamido)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]-1h-indazol-1-yl}-n-[(3r)-oxolan-3-yl]benzamide

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 606.6 g/mol
    Molecular Formula C32H32F2N4O6
    XLogP34.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count9
    Exact Mass606.22899108 g/mol
    Monoisotopic Mass606.22899108 g/mol
    Topological Polar Surface Area113 Ų
    Heavy Atom Count44
    Formal Charge0
    Complexity1010
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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