ChemSpider 2D Image | {4-[2-(Cyclopropylamino)-5-(4-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}[1-(difluoromethyl)-1H-pyrazol-5-yl]methanone | C22H23F2N7O

{4-[2-(Cyclopropylamino)-5-(4-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}[1-(difluoromethyl)-1H-pyrazol-5-yl]methanone

  • Molecular FormulaC22H23F2N7O
  • Average mass439.461 Da
  • Monoisotopic mass439.193207 Da
  • ChemSpider ID24984101

More details:

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

{4-[2-(Cyclopropylamino)-5-(4-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}[1-(difluormethyl)-1H-pyrazol-5-yl]methanon [German] [ACD/IUPAC Name]
{4-[2-(Cyclopropylamino)-5-(4-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}[1-(difluoromethyl)-1H-pyrazol-5-yl]methanone [ACD/IUPAC Name]
{4-[2-(Cyclopropylamino)-5-(4-pyridinyl)-4-pyrimidinyl]-1-pipéridinyl}[1-(difluorométhyl)-1H-pyrazol-5-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[2-(cyclopropylamino)-5-(4-pyridinyl)-4-pyrimidinyl]-1-piperidinyl][1-(difluoromethyl)-1H-pyrazol-5-yl]- [ACD/Index Name]
N-CYCLOPROPYL-4-{1-[1-(DIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBONYL]PIPERIDIN-4-YL}-5-(PYRIDIN-4-YL)PYRIMIDIN-2-AMINE
N-CYCLOPROPYL-4-{1-[2-(DIFLUOROMETHYL)PYRAZOLE-3-CARBONYL]PIPERIDIN-4-YL}-5-(PYRIDIN-4-YL)PYRIMIDIN-2-AMINE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 646.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.7±34.3 °C
Index of Refraction: 1.717
Molar Refractivity: 115.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.37
ACD/KOC (pH 5.5): 130.92
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.39
ACD/KOC (pH 7.4): 131.20
Polar Surface Area: 89 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 292.1±7.0 cm3

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