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    Technical details about LUT017, learn more about the structure, uses, toxicity, action, side effects and more

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    LUT017

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    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: Lut017, Lut-017, 2274819-49-5, 1,5-isoquinolinediamine, n1-(4-chloro-3-(trifluoromethyl)phenyl)-6-methyl-n5-(3-(9h-purin-6-yl)-2-pyridinyl)-, 1,5-isoquinolinediamine, n1-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-n5-[3-(9h-purin-6-yl)-2-pyridinyl]-, Unii-qg9rvl7d9f
    Molecular Formula
    C27H18ClF3N8
    Molecular Weight
    546.9  g/mol
    InChI Key
    CJQQVFISHQDCLJ-UHFFFAOYSA-N
    FDA UNII
    QG9RVL7D9F
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-N-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine
    2.1.2 InChI
    InChI=1S/C27H18ClF3N8/c1-14-4-6-17-16(8-10-33-24(17)38-15-5-7-20(28)19(11-15)27(29,30)31)21(14)39-25-18(3-2-9-32-25)22-23-26(36-12-34-22)37-13-35-23/h2-13H,1H3,(H,32,39)(H,33,38)(H,34,35,36,37)
    2.1.3 InChI Key
    CJQQVFISHQDCLJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC(=C(C=C3)Cl)C(F)(F)F)NC4=C(C=CC=N4)C5=C6C(=NC=N5)N=CN6
    2.2 Other Identifiers
    2.2.1 UNII
    QG9RVL7D9F
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Lut017

    2. Lut-017

    3. 2274819-49-5

    4. 1,5-isoquinolinediamine, N1-(4-chloro-3-(trifluoromethyl)phenyl)-6-methyl-n5-(3-(9h-purin-6-yl)-2-pyridinyl)-

    5. 1,5-isoquinolinediamine, N1-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-n5-[3-(9h-purin-6-yl)-2-pyridinyl]-

    6. Unii-qg9rvl7d9f

    7. Schembl23015977

    8. 1-n-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-n-[3-(7h-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine

    2.4 Create Date
    2021-08-21
    3 Chemical and Physical Properties
    Molecular Weight 546.9 g/mol
    Molecular Formula C27H18ClF3N8
    XLogP36.5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count5
    Exact Mass546.1295048 g/mol
    Monoisotopic Mass546.1295048 g/mol
    Topological Polar Surface Area104 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity822
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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