ChemSpider 2D Image | Mobocertinib | C32H39N7O4

Mobocertinib

  • Molecular FormulaC32H39N7O4
  • Average mass585.697 Da
  • Monoisotopic mass585.306335 Da
  • ChemSpider ID84455481

More details:

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

1847461-43-1 [RN]
2-{[5-(Acryloylamino)-4-{[2-(diméthylamino)éthyl](méthyl)amino}-2-méthoxyphényl]amino}-4-(1-méthyl-1H-indol-3-yl)-5-pyrimidinecarboxylate d'isopropyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 2-[[4-[[2-(dimethylamino)ethyl]methylamino]-2-methoxy-5-[(1-oxo-2-propen-1-yl)amino]phenyl]amino]-4-(1-methyl-1H-indol-3-yl)-, 1-methylethyl ester [ACD/Index Name]
Exkivity [Trade name]
isopropyl 2-[(4-{[2-(dimethylamino)ethyl](methyl)amino}-2-methoxy-5-(prop-2-enamido)phenyl)amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
Isopropyl 2-{[5-(acryloylamino)-4-{[2-(dimethylamino)ethyl](methyl)amino}-2-methoxyphenyl]amino}-4-(1-methyl-1H-indol-3-yl)-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Isopropyl-2-{[5-(acryloylamino)-4-{[2-(dimethylamino)ethyl](methyl)amino}-2-methoxyphenyl]amino}-4-(1-methyl-1H-indol-3-yl)-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
Mobocertinib [USAN]
propan-2-yl 2-[(4-{[2-(dimethylamino)ethyl](methyl)amino}-2-methoxy-5-(prop-2-enamido)phenyl)amino]-4-(1-methyl-1H-indol-3-yl)pyrimidine-5-carboxylate
1-Methylethyl 2-[[4-[[2-(dimethylamino)ethyl]methylamino]-2-methoxy-5-[(1-oxo-2-propen-1-yl)amino]phenyl]amino]-4-(1-methyl-1H-indol-3-yl)-5-pyrimidinecarboxylate
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  • Miscellaneous

    • Therapeutical Effect:

      To treat locally advanced or metastatic non-small cell lung cancer with epidermal growth factor receptor exon 20 insertion mutations FDA Exkivity

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 166.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 6.45
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 31.60
ACD/KOC (pH 7.4): 139.05
Polar Surface Area: 114 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 484.5±7.0 cm3

Click to predict properties on the Chemicalize site


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