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    Praliciguat

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    DIGITAL CONTENT

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    2D Structure
    Also known as: 1628730-49-3, Iw-1973, Praliciguat [inn], R1s0h458sa, 1,1,1,3,3,3-hexafluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]propan-2-ol, 2-propanol, 1,1,1,3,3,3-hexafluoro-2-(((5-fluoro-2-(1-((2-fluorophenyl)methyl)-5-(3-isoxazolyl)-1h-pyrazol-3-yl)-4-pyrimidinyl)amino)methyl)-
    Molecular Formula
    C21H14F8N6O2
    Molecular Weight
    534.4  g/mol
    InChI Key
    CYSJNTQNMDWAJV-UHFFFAOYSA-N
    FDA UNII
    R1S0H458SA
    Praliciguat is under investigation in clinical trial NCT03254485 (A Study of the Effect of IW-1973 on the Exercise Capacity of Patients With Heart Failure With Preserved Ejection Fraction (Hfpef)).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,1,1,3,3,3-hexafluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]propan-2-ol
    2.1.2 InChI
    InChI=1S/C21H14F8N6O2/c22-12-4-2-1-3-11(12)9-35-16(14-5-6-37-34-14)7-15(33-35)18-30-8-13(23)17(32-18)31-10-19(36,20(24,25)26)21(27,28)29/h1-8,36H,9-10H2,(H,30,31,32)
    2.1.3 InChI Key
    CYSJNTQNMDWAJV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)CN2C(=CC(=N2)C3=NC=C(C(=N3)NCC(C(F)(F)F)(C(F)(F)F)O)F)C4=NOC=C4)F
    2.2 Other Identifiers
    2.2.1 UNII
    R1S0H458SA
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,1,1,3,3,3-hexafluoro-2-(((5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1h-pyrazol-3-yl) Pyrimidin-4-yl)amino)methyl)propan-2-ol

    2. Iw-1973

    2.3.2 Depositor-Supplied Synonyms

    1. 1628730-49-3

    2. Iw-1973

    3. Praliciguat [inn]

    4. R1s0h458sa

    5. 1,1,1,3,3,3-hexafluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]propan-2-ol

    6. 2-propanol, 1,1,1,3,3,3-hexafluoro-2-(((5-fluoro-2-(1-((2-fluorophenyl)methyl)-5-(3-isoxazolyl)-1h-pyrazol-3-yl)-4-pyrimidinyl)amino)methyl)-

    7. 2-propanol, 1,1,1,3,3,3-hexafluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(3-isoxazolyl)-1h-pyrazol-3-yl]-4-pyrimidinyl]amino]methyl]-

    8. Praliciguatum

    9. Praliciguat (usan/inn)

    10. Praliciguat [usan]

    11. Unii-r1s0h458sa

    12. Praliciguat [who-dd]

    13. Gtpl9900

    14. Chembl4297214

    15. Schembl16082414

    16. Chebi:142431

    17. Bdbm321618

    18. Dtxsid901101232

    19. Ex-a5960

    20. Iw1973

    21. Us10183021, Compound I-324

    22. Bp177758

    23. Hy-109039

    24. Cs-0031480

    25. D11274

    26. D87220

    27. 1,1,1,3,3,3-hexafluoro-2-(((5-fluoro-2-(1-((2-fluorophenyl)methyl)-5-(1,2-oxazol-3-yl)-1h-pyrazol-3-yl)pyrimidin-4-yl)amino)methyl)propan-2-ol

    28. 1,1,1,3,3,3-hexafluoro-2-(((5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1h-pyrazol-3-yl) Pyrimidin-4-yl)amino)methyl)propan-2-ol

    29. 1,1,1,3,3,3-hexafluoro-2-[({5-fluoro-2-[1-(2-fluorobenzyl)-5-(1,2-oxazol-3-yl)-1h-pyrazol-3-yl]pyrimidin-4-yl}amino)methyl]propan-2-ol

    30. 1,1,1,3,3,3-hexafluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(3-isoxazolyl)-1h-pyrazol-3-yl]-4-pyrimidinyl]amino]methyl]-2-propanol

    31. 1,1,1-trifluoro-3-[(5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1h-pyrazol-3-yl}pyrimidin-4-yl)amino]-2-(trifluoromethyl)propan-2-ol

    2.4 Create Date
    2014-11-10
    3 Chemical and Physical Properties
    Molecular Weight 534.4 g/mol
    Molecular Formula C21H14F8N6O2
    XLogP33.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count7
    Exact Mass534.10504901 g/mol
    Monoisotopic Mass534.10504901 g/mol
    Topological Polar Surface Area102 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity748
    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

    Guanylyl Cyclase C Agonists

    Compunds that bind to and activate GUANYLYL CYCLASE-C RECEPTORS. (See all compounds classified as Guanylyl Cyclase C Agonists.)

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