ChemSpider 2D Image | 1-(3-{4-[(4-Methyl-6-{[4-(trifluoromethyl)-2-pyridinyl]amino}-2,3'-bipyridin-6'-yl)amino]-1-piperidinyl}-3-oxopropyl)-2-pyrrolidinone | C29H32F3N7O2

1-(3-{4-[(4-Methyl-6-{[4-(trifluoromethyl)-2-pyridinyl]amino}-2,3'-bipyridin-6'-yl)amino]-1-piperidinyl}-3-oxopropyl)-2-pyrrolidinone

  • Molecular FormulaC29H32F3N7O2
  • Average mass567.605 Da
  • Monoisotopic mass567.256958 Da
  • ChemSpider ID61720030

More details:

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

1-(3-{4-[(4-Methyl-6-{[4-(trifluormethyl)-2-pyridinyl]amino}-2,3'-bipyridin-6'-yl)amino]-1-piperidinyl}-3-oxopropyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
1-(3-{4-[(4-Methyl-6-{[4-(trifluoromethyl)-2-pyridinyl]amino}-2,3'-bipyridin-6'-yl)amino]-1-piperidinyl}-3-oxopropyl)-2-pyrrolidinone [ACD/IUPAC Name]
1-(3-{4-[(4-Méthyl-6-{[4-(trifluorométhyl)-2-pyridinyl]amino}-2,3'-bipyridin-6'-yl)amino]-1-pipéridinyl}-3-oxopropyl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-[3-[4-[[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino][2,3'-bipyridin]-6'-yl]amino]-1-piperidinyl]-3-oxopropyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 754.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 409.8±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 147.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 536.50
ACD/KOC (pH 5.5): 2839.70
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 751.07
ACD/KOC (pH 7.4): 3975.42
Polar Surface Area: 103 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 423.3±3.0 cm3

Click to predict properties on the Chemicalize site


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