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Search term: IDKKNSOZWQOAAS-KYJUHHDHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide | C31H30F2N6O3

2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide

  • Molecular FormulaC31H30F2N6O3
  • Average mass572.605 Da
  • Monoisotopic mass572.234741 Da
  • ChemSpider ID28517495

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-((R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)-N-((S)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-3-yl)acetamide
2-((R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)-N-((S)-2-oxo-1,2,5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3-pyrrolo[2,3-b]pyridin]-3-yl)acetamide
2-[(8R)-8-(3,5-Difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]dec-9-yl]-N-[(6S)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-3-yl]acetamide [ACD/IUPAC Name]
6,9-Diazaspiro[4.5]decane-9-acetamide, 8-(3,5-difluorophenyl)-8-methyl-10-oxo-N-[(6S)-1',2',5,7-tetrahydro-2'-oxospiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridin]-3-yl]-, (8R)- [ACD/Index Name]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 822.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 119.5±3.0 kJ/mol
    Flash Point: 451.1±34.3 °C
    Index of Refraction: 1.684
    Molar Refractivity: 148.5±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 4.58
    ACD/LogD (pH 5.5): 1.82
    ACD/BCF (pH 5.5): 5.87
    ACD/KOC (pH 5.5): 43.12
    ACD/LogD (pH 7.4): 3.27
    ACD/BCF (pH 7.4): 164.94
    ACD/KOC (pH 7.4): 1210.83
    Polar Surface Area: 116 Å2
    Polarizability: 58.9±0.5 10-24cm3
    Surface Tension: 74.7±5.0 dyne/cm
    Molar Volume: 391.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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