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    Chemistry

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    Also known as: 2133417-13-5, Ralmitaront [inn], Ralmitaront [usan], Rg7906, Qa8mw1q80p, Ro6889450
    Molecular Formula
    C17H22N4O2
    Molecular Weight
    314.4  g/mol
    InChI Key
    XHHXGKRFUPEPFM-OAHLLOKOSA-N
    FDA UNII
    QA8MW1Q80P
    Ralmitaront
    Ralmitaront is under investigation in clinical trial NCT04512066 (A Trial of the Efficacy and the Safety of RO6889450 (Ralmitaront) vs Placebo in Patients With an Acute Exacerbation of Schizophrenia or Schizoaffective Disorder).
    1 2D Structure

    Ralmitaront

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide
    2.1.2 InChI
    InChI=1S/C17H22N4O2/c1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15/h4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1
    2.1.3 InChI Key
    XHHXGKRFUPEPFM-OAHLLOKOSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    QA8MW1Q80P
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2133417-13-5

    2. Ralmitaront [inn]

    3. Ralmitaront [usan]

    4. Rg7906

    5. Qa8mw1q80p

    6. Ro6889450

    7. Rg-7906

    8. Ro-6889450

    9. Ralmitaront [who-dd]

    10. 5-ethyl-4-methyl-n-[4-[(2s)-morpholin-2-yl]phenyl]-1h-pyrazole-3-carboxamide

    11. Dtxsid901336976

    12. 1h-pyrazole-3-carboxamide, 5-ethyl-4-methyl-n-(4-(2s)-2-morpholinylphenyl)-

    13. Example 1 [wo2017157873a1]

    14. 5-ethyl-4-methyl-n-{4-[(2s)-morpholin-2-yl]phenyl}-1h-pyrazole-3-carboxamide

    15. Example 1 (wo2017157873a1)

    16. 5-ethyl-4-methyl-n-(4-((2s)-morpholin-2-yl)phenyl)-1h-pyrazole-3-carboxamide

    17. Refchem:875106

    18. Dtxcid501767288

    19. Ralmitaront [usan:inn]

    20. Unii-qa8mw1q80p

    21. (s)-5-ethyl-4-methyl-n-(4-(morpholin-2-yl)phenyl)-1h-pyrazole-3-carboxamide

    22. Who 11130

    23. 5-ethyl-4-methyl-~{n}-[4-[(2~{s})-morpholin-2-yl]phenyl]-1~{h}-pyrazole-3-carboxamide

    24. Ralmitaront (usan/inn)

    25. Orb1298302

    26. Chembl4594376

    27. Schembl19356836

    28. Gtpl12190

    29. Ex-a5232

    30. Akos040759709

    31. Da-67109

    32. Ms-24620

    33. Hy-109157

    34. Cs-0116071

    35. D11830

    36. G17835

    37. 5-ethyl-4-methyl-n-[4-(2s)-2-morpholinylphenyl]-1h-pyrazole-3-carboxamide

    38. Uju

    2.4 Create Date
    2017-10-07
    3 Chemical and Physical Properties
    Molecular Weight 314.4 g/mol
    Molecular Formula C17H22N4O2
    XLogP31.6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area79
    Heavy Atom Count23
    Formal Charge0
    Complexity398
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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