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    Lorecivivint

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: Lorecivivint, 1467093-03-3, Sm04690, Lorecivivint [usan], N-(5-(3-(7-(3-fluorophenyl)-3h-imidazo[4,5-c]pyridin-2-yl)-1h-indazol-5-yl)pyridin-3-yl)-3-methylbutanamide, Adavivint (sm04690)
    Molecular Formula
    C29H24FN7O
    Molecular Weight
    505.5  g/mol
    InChI Key
    AQDWDWAYVBQMAM-UHFFFAOYSA-N
    FDA UNII
    42EK42WHI5
    Lorecivivint is under investigation in clinical trial NCT03246399 (A Study of the Safety, Tolerability, and Pharmacokinetics of SM04690 Injectable Suspension Following Single Intradiscal Injection in Subjects With Degenerative Disc Disease).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-yl]-3-methylbutanamide
    2.1.2 InChI
    InChI=1S/C29H24FN7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)
    2.1.3 InChI Key
    AQDWDWAYVBQMAM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CC(=O)NC1=CN=CC(=C1)C2=CC3=C(C=C2)NN=C3C4=NC5=C(N4)C=NC=C5C6=CC(=CC=C6)F
    2.2 Other Identifiers
    2.2.1 UNII
    42EK42WHI5
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Lorecivivint

    2. N-(5-((3z)-3-(7-(3-fluorophenyl)imidazo(4,5-c)pyridin-2-ylidene)-1,2-dihydroindazol-5-yl)pyridin-3-yl)-3-methylbutanamide

    3. Sm-04690

    4. Sm04690

    2.3.2 Depositor-Supplied Synonyms

    1. Lorecivivint

    2. 1467093-03-3

    3. Sm04690

    4. Lorecivivint [usan]

    5. N-(5-(3-(7-(3-fluorophenyl)-3h-imidazo[4,5-c]pyridin-2-yl)-1h-indazol-5-yl)pyridin-3-yl)-3-methylbutanamide

    6. Adavivint (sm04690)

    7. Sm-04690

    8. 42ek42whi5

    9. 1467093-03-3 (free Base)

    10. N-(5-(3-(7-(3-fluorophenyl)-3h-imidazo(4,5-c)pyridin-2-yl)-1h-indazol-5- Yl)-pyridin-3-yl)-3-methylbutanamide

    11. Adavivint [inn]

    12. N-[5-[3-[7-(3-fluorophenyl)-3h-imidazo[4,5-c]pyridin-2-yl]-1h-indazol-5-yl]pyridin-3-yl]-3-methylbutanamide

    13. Adavivint; Sm04690

    14. Lorecivivint (usan/inn)

    15. Lorecivivint [inn]

    16. Adavivint (deprecated Inn)

    17. Unii-42ek42whi5

    18. Gtpl9620

    19. Chembl4297639

    20. Schembl15302155

    21. Bcp30409

    22. Ex-a2711

    23. Mfcd30489411

    24. S8761

    25. Who 10389

    26. Db14883

    27. Ac-31570

    28. As-84223

    29. Sm0-4690

    30. Hy-109049

    31. Cs-0031495

    32. D11588

    33. D83694

    34. A934079

    35. Sm04690; Sm-04690; Sm 04690 Pound>>cas:1467013-03-3

    36. Butanamide, N-(5-(3-(7-(3-fluorophenyl)-3h-imidazo(4,5-c)pyridin-2-yl)-1h- Indazol-5-yl)-3-pyridinyl)-3-methyl-

    37. N-(5-((3z)-3-(7-(3-fluorophenyl)imidazo(4,5-c)pyridin-2-ylidene)-1,2-dihydroindazol-5-yl)pyridin-3-yl)-3-methylbutanamide

    38. N-(5-{3-[7-(3-fluorophenyl)-1h-imidazo[4,5-c]pyridin-2-yl]-1h-indazol-5-yl}pyridin-3-yl)-3-methylbutanamide

    2.4 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 505.5 g/mol
    Molecular Formula C29H24FN7O
    XLogP34.5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass505.20263658 g/mol
    Monoisotopic Mass505.20263658 g/mol
    Topological Polar Surface Area112 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity816
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Inflammatory Agents

    Substances that reduce or suppress INFLAMMATION. (See all compounds classified as Anti-Inflammatory Agents.)