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    Iptacopan

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    2D Structure
    Also known as: Lnp023, 1644670-37-0, Lnp-023, Iptacopan [inn], Iptacopan [usan], Nvp-lnp023-nx
    Molecular Formula
    C25H30N2O4
    Molecular Weight
    422.5  g/mol
    InChI Key
    RENRQMCACQEWFC-UGKGYDQZSA-N
    FDA UNII
    8E05T07Z6W
    Iptacopan is an orally available, small-molecule inhibitor of complement factor B (FB) with potential immunomodulatory activity. Upon administration, iptacopan binds to FB and prevents the formation of the alternative pathway (AP) C3-convertase (C3bBb). This limits the cleavage of C3 to the active fragment C3b and may prevent C3b-mediated extravascular hemolysis in certain complement-driven disorders such as paroxysmal nocturnal hemoglobinuria (PNH).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
    2.1.2 InChI
    InChI=1S/C25H30N2O4/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,28,29)/t19-,22-/m0/s1
    2.1.3 InChI Key
    RENRQMCACQEWFC-UGKGYDQZSA-N
    2.1.4 Canonical SMILES
    CCOC1CCN(C(C1)C2=CC=C(C=C2)C(=O)O)CC3=C(C=C(C4=C3C=CN4)C)OC
    2.1.5 Isomeric SMILES
    CCO[C@H]1CCN([C@@H](C1)C2=CC=C(C=C2)C(=O)O)CC3=C(C=C(C4=C3C=CN4)C)OC
    2.2 Other Identifiers
    2.2.1 UNII
    8E05T07Z6W
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Lnp023

    2. 1644670-37-0

    3. Lnp-023

    4. Iptacopan [inn]

    5. Iptacopan [usan]

    6. Nvp-lnp023-nx

    7. Nvp-lnp023

    8. 8e05t07z6w

    9. 4-[(2s,4s)-4-ethoxy-1-[(5-methoxy-7-methyl-1h-indol-4-yl)methyl]piperidin-2-yl]benzoic Acid

    10. 4-[(2~{s},4~{s})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{h}-indol-4-yl)methyl]piperidin-2-yl]benzoic Acid

    11. Benzoic Acid, 4-((2s,4s)-4-ethoxy-1-((5-methoxy-7-methyl-1h-indol-4-yl)methyl)-2-piperidinyl)-

    12. Benzoic Acid, 4-[(2s,4s)-4-ethoxy-1-[(5-methoxy-7-methyl-1h-indol-4-yl)methyl]-2-piperidinyl]-

    13. Iptacopan [who-dd]

    14. Unii-8e05t07z6w

    15. Chembl4594448

    16. Schembl16400416

    17. Gtpl10710

    18. Us9682968, Example-26a

    19. Bdbm160475

    20. Ex-a5728

    21. Who 11259

    22. Zinc223246892

    23. At30389

    24. Compound 41 [pmid: 32073845]

    25. Hy-127105

    26. Cs-0093107

    27. A935227

    28. 4-((2s,4s)-(4-ethoxy-1-((5-methoxy-7-methyl-1h-indol-4-yl)methyl)piperidin-2-yl))benzoic Acid

    29. 4-((2s,4s)-4-ethoxy-1-((5-methoxy-7-methyl-1h-indol-4-yl)methyl)piperidin-2-yl)benzoicacid

    30. Jgq

    2.4 Create Date
    2015-02-16
    3 Chemical and Physical Properties
    Molecular Weight 422.5 g/mol
    Molecular Formula C25H30N2O4
    XLogP31.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass422.22055744 g/mol
    Monoisotopic Mass422.22055744 g/mol
    Topological Polar Surface Area74.8 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity594
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1