ChemSpider 2D Image | ivosidenib | C28H22ClF3N6O3

ivosidenib

  • Molecular FormulaC28H22ClF3N6O3
  • Average mass582.961 Da
  • Monoisotopic mass582.139404 Da
  • ChemSpider ID64880063

More details:

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

1448347-49-6 [RN]
2-(2-chlorophenyl)-2-{1-[1-(4-cyanopyridin-2-yl)-5-oxopyrrolidin-2-yl]-N-(5-fluoropyridin-3-yl)formamido}-N-(3,3-difluorocyclobutyl)acetamide
2-Pyrrolidinecarboxamide, N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-5-oxo- [ACD/Index Name]
ivosidenib [INN] [USAN]
N-{1-(2-Chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-5-oxoprolinamide [ACD/IUPAC Name]
N-{1-(2-Chlorophényl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoéthyl}-1-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-5-oxoprolinamide [French] [ACD/IUPAC Name]
N-{1-(2-Chlorphenyl)-2-[(3,3-difluorcyclobutyl)amino]-2-oxoethyl}-1-(4-cyan-2-pyridinyl)-N-(5-fluor-3-pyridinyl)-5-oxoprolinamid [German] [ACD/IUPAC Name]
(R,S)-Ivosidenib
1448346-63-1 [RN]
AG-120
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 854.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 470.4±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 140.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.89
ACD/KOC (pH 5.5): 108.42
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.89
ACD/KOC (pH 7.4): 108.42
Polar Surface Area: 119 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 73.0±5.0 dyne/cm
Molar Volume: 383.6±5.0 cm3

Click to predict properties on the Chemicalize site


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