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    Pomotrelvir

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Pomotrelvir [inn], Pbi 0451 [who-dd], 6xhd59349r, 2713437-86-4, 1h-indole-2-carboxamide, 7-chloro-n-((1s)-2-(((1s)-1-cyano-2-((3s)-2-oxo-3-piperidinyl)ethyl)amino)-1-(cyclopropylmethyl)-2-oxoethyl)-, 1h-indole-2-carboxamide, 7-chloro-n-[(1s)-2-[[(1s)-1-cyano-2-[(3s)-2-oxo-3-piperidinyl]ethyl]amino]-1-(cyclopropylmethyl)-2-oxoethyl]-
    Molecular Formula
    C23H26ClN5O3
    Molecular Weight
    455.9  g/mol
    InChI Key
    BNMFQWUHWYJTRI-BQFCYCMXSA-N
    FDA UNII
    6XHD59349R
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
    2.1.2 InChI
    InChI=1S/C23H26ClN5O3/c24-17-5-1-3-14-11-19(28-20(14)17)23(32)29-18(9-13-6-7-13)22(31)27-16(12-25)10-15-4-2-8-26-21(15)30/h1,3,5,11,13,15-16,18,28H,2,4,6-10H2,(H,26,30)(H,27,31)(H,29,32)/t15-,16-,18-/m0/s1
    2.1.3 InChI Key
    BNMFQWUHWYJTRI-BQFCYCMXSA-N
    2.1.4 Canonical SMILES
    C1CC(C(=O)NC1)CC(C#N)NC(=O)C(CC2CC2)NC(=O)C3=CC4=C(N3)C(=CC=C4)Cl
    2.1.5 Isomeric SMILES
    C1C[C@H](C(=O)NC1)C[C@@H](C#N)NC(=O)[C@H](CC2CC2)NC(=O)C3=CC4=C(N3)C(=CC=C4)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    6XHD59349R
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Pbi 0451

    2. Pbi-0451

    3. Pbi0451

    2.3.2 Depositor-Supplied Synonyms

    1. Pomotrelvir [inn]

    2. Pbi 0451 [who-dd]

    3. 6xhd59349r

    4. 2713437-86-4

    5. 1h-indole-2-carboxamide, 7-chloro-n-((1s)-2-(((1s)-1-cyano-2-((3s)-2-oxo-3-piperidinyl)ethyl)amino)-1-(cyclopropylmethyl)-2-oxoethyl)-

    6. 1h-indole-2-carboxamide, 7-chloro-n-[(1s)-2-[[(1s)-1-cyano-2-[(3s)-2-oxo-3-piperidinyl]ethyl]amino]-1-(cyclopropylmethyl)-2-oxoethyl]-

    7. Pomotrelvir [usan]

    8. Unii-6xhd59349r

    9. Bdbm509947

    10. Pbi-0451

    11. Us11124497, Compound 639 (isomer 1)

    12. 7-chloro-n-((2s)-1-(((1s)-1-cyano-2-((3s)-2-oxopiperidin-3-yl)ethyl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-1h-indole-2-carboxamide

    13. 7-chloro-n-[(2s)-1-({(1s)-1-cyano-2-[(3s)-2-oxopiperidin-3-yl]ethyl}amino)-3- Cyclopropyl-1-oxopropan-2-yl]-1h-indole-2-carboxamide

    2.4 Create Date
    2022-01-19
    3 Chemical and Physical Properties
    Molecular Weight 455.9 g/mol
    Molecular Formula C23H26ClN5O3
    XLogP33.1
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count8
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area127
    Heavy Atom Count32
    Formal Charge0
    Complexity779
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1