ChemSpider 2D Image | 1-(8-Methoxy-4-methyl-2-quinolinyl)-5-{[2-methyl-6-(4-methylphenyl)-4-pyrimidinyl]amino}-1H-pyrazole-4-carbonitrile | C27H23N7O

1-(8-Methoxy-4-methyl-2-quinolinyl)-5-{[2-methyl-6-(4-methylphenyl)-4-pyrimidinyl]amino}-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC27H23N7O
  • Average mass461.518 Da
  • Monoisotopic mass461.196411 Da
  • ChemSpider ID34737027

More details:






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

1-(8-Methoxy-4-methyl-2-chinolinyl)-5-{[2-methyl-6-(4-methylphenyl)-4-pyrimidinyl]amino}-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
1-(8-Méthoxy-4-méthyl-2-quinoléinyl)-5-{[2-méthyl-6-(4-méthylphényl)-4-pyrimidinyl]amino}-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
1-(8-Methoxy-4-methyl-2-quinolinyl)-5-{[2-methyl-6-(4-methylphenyl)-4-pyrimidinyl]amino}-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
1H-Pyrazole-4-carbonitrile, 1-(8-methoxy-4-methyl-2-quinolinyl)-5-[[2-methyl-6-(4-methylphenyl)-4-pyrimidinyl]amino]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 706.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.9±32.9 °C
Index of Refraction: 1.684
Molar Refractivity: 136.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.48
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 731.49
ACD/KOC (pH 5.5): 2559.93
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3101.62
ACD/KOC (pH 7.4): 10854.46
Polar Surface Area: 102 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 358.3±7.0 cm3

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