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    Camlipixant

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    2D Structure
    Also known as: Blu-5937, Tb7d2h7mzz, 1621164-74-6, (s)-methyl-2-((2-(2,6-difluoro-4-(methylcarbamoyl)phenyl)-7-methylimidazo[1,2-a]pyridin-3-yl)methyl)morpholine-4-carboxylate, 4-morpholinecarboxylic acid, 2-((2-(2,6-difluoro-4-((methylamino)carbonyl)phenyl)-7-methylimidazo(1,2-a)pyridin-3-yl)methyl)-, methyl ester, (2s)-, Camlipixant [inn]
    Molecular Formula
    C23H24F2N4O4
    Molecular Weight
    458.5  g/mol
    InChI Key
    SEHLMRJSQFAPCJ-HNNXBMFYSA-N
    FDA UNII
    TB7D2H7MZZ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2S)-2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
    2.1.2 InChI
    InChI=1S/C23H24F2N4O4/c1-13-4-5-29-18(11-15-12-28(6-7-33-15)23(31)32-3)21(27-19(29)8-13)20-16(24)9-14(10-17(20)25)22(30)26-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H,26,30)/t15-/m0/s1
    2.1.3 InChI Key
    SEHLMRJSQFAPCJ-HNNXBMFYSA-N
    2.1.4 Canonical SMILES
    CC1=CC2=NC(=C(N2C=C1)CC3CN(CCO3)C(=O)OC)C4=C(C=C(C=C4F)C(=O)NC)F
    2.1.5 Isomeric SMILES
    CC1=CC2=NC(=C(N2C=C1)C[C@H]3CN(CCO3)C(=O)OC)C4=C(C=C(C=C4F)C(=O)NC)F
    2.2 Other Identifiers
    2.2.1 UNII
    TB7D2H7MZZ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Blu-5937

    2. Methyl (s)-3-((2-(2,6-difluoro-4-(methylcarbamoyl)phenyl)-7-methylimidazo(1,2-a)pyridin-3-yl)methyl)piperidine-1-carboxylate

    2.3.2 Depositor-Supplied Synonyms

    1. Blu-5937

    2. Tb7d2h7mzz

    3. 1621164-74-6

    4. (s)-methyl-2-((2-(2,6-difluoro-4-(methylcarbamoyl)phenyl)-7-methylimidazo[1,2-a]pyridin-3-yl)methyl)morpholine-4-carboxylate

    5. 4-morpholinecarboxylic Acid, 2-((2-(2,6-difluoro-4-((methylamino)carbonyl)phenyl)-7-methylimidazo(1,2-a)pyridin-3-yl)methyl)-, Methyl Ester, (2s)-

    6. Camlipixant [inn]

    7. Unii-tb7d2h7mzz

    8. Chembl5095035

    9. Schembl15923275

    10. A935056

    11. Methyl (2s)-2-({2-[2,6-difluoro-4- (methylcarbamoyl)phenyl]-7-methylimidazo[1,2- A]pyridin-3-yl}methyl)morpholine-4-carboxylate

    12. Methyl (s)-2-((2-(2,6-difluoro-4-(methylcarbamoyl)-phenyl)-7-methylimidazo(1,2-a)pyridin-3-yl)methyl)-morpholine-4-carboxylate

    2.4 Create Date
    2014-08-25
    3 Chemical and Physical Properties
    Molecular Weight 458.5 g/mol
    Molecular Formula C23H24F2N4O4
    XLogP33.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area85.2
    Heavy Atom Count33
    Formal Charge0
    Complexity704
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1