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    763111-47-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 763111-47-3, 4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2h-phthalazin-1-one, N-descyclopropanecarbaldehyde olaparib, Mfcd18251631, 4-[[4-fluoro-3-(1-piperazinylcarbonyl)phenyl]methyl]-1(2h)-phthalazinone, 4-[4-fluoro-3-(piperazine-1-carbonyl)benzyl]phthalazin-1(2h)-one
    Molecular Formula
    C20H19FN4O2
    Molecular Weight
    366.4  g/mol
    InChI Key
    MFFUYEOGICAKCK-UHFFFAOYSA-N
    FDA UNII
    292S583DJH
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
    2.1.2 InChI
    InChI=1S/C20H19FN4O2/c21-17-6-5-13(11-16(17)20(27)25-9-7-22-8-10-25)12-18-14-3-1-2-4-15(14)19(26)24-23-18/h1-6,11,22H,7-10,12H2,(H,24,26)
    2.1.3 InChI Key
    MFFUYEOGICAKCK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F
    2.2 Other Identifiers
    2.2.1 UNII
    292S583DJH
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 763111-47-3

    2. 4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2h-phthalazin-1-one

    3. N-descyclopropanecarbaldehyde Olaparib

    4. Mfcd18251631

    5. 4-[[4-fluoro-3-(1-piperazinylcarbonyl)phenyl]methyl]-1(2h)-phthalazinone

    6. 4-[4-fluoro-3-(piperazine-1-carbonyl)benzyl]phthalazin-1(2h)-one

    7. C20h19fn4o2

    8. 1-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine; 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2h)-one;

    9. Schembl524782

    10. Chembl493045

    11. Bdbm27543

    12. Mffuyeogicakck-uhfffaoysa-n

    13. 292s583djh

    14. Amy41131

    15. Bcp12312

    16. Cs-m0384

    17. 1-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine

    18. Akos025287453

    19. As-10203

    20. Hy-75706

    21. Sy047561

    22. Db-122992

    23. En300-7423296

    24. Z3034661463

    25. 4-[4-fluoro-3-(piperazine-1-carbonyl)-benzyl]-2h-phthalazin-1-one

    26. 1(2h)-phthalazinone, 4-[[4-fluoro-3-(1-piperazinylcarbonyl)phenyl]methyl]-

    27. 1(7h)-phthalazinone, 4-[[4-fluoro-3-(1-piperazinylcarbonyl)phenyl]methyl]-

    28. 4-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methyl}-1,2-dihydrophthalazin-1-one

    29. 4-{[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl}-1,2-dihydrophthalazin-1-one

    30. Piperazine, 1-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]-

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 366.4 g/mol
    Molecular Formula C20H19FN4O2
    XLogP31.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area73.8
    Heavy Atom Count27
    Formal Charge0
    Complexity605
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1