ChemSpider 2D Image | 3-{3,5-Dimethyl-1-[6-(1-piperidinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl}-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone | C26H34N8O

3-{3,5-Dimethyl-1-[6-(1-piperidinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl}-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone

  • Molecular FormulaC26H34N8O
  • Average mass474.601 Da
  • Monoisotopic mass474.285553 Da
  • ChemSpider ID28955696

More details:

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

1-Propanone, 3-[3,5-dimethyl-1-[6-(1-piperidinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl]-1-[4-(2-pyridinyl)-1-piperazinyl]- [ACD/Index Name]
3-{3,5-Dimethyl-1-[6-(1-piperidinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl}-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanon [German] [ACD/IUPAC Name]
3-{3,5-Dimethyl-1-[6-(1-piperidinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl}-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone [ACD/IUPAC Name]
3-{3,5-Diméthyl-1-[6-(1-pipéridinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl}-1-[4-(2-pyridinyl)-1-pipérazinyl]-1-propanone [French] [ACD/IUPAC Name]
4-{3,5-dimethyl-4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-pyrazol-1-yl}-6-piperidin-1-ylpyrimidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 737.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.8±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 138.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.22
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 9.35
ACD/KOC (pH 7.4): 85.18
Polar Surface Area: 83 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 365.6±7.0 cm3

Click to predict properties on the Chemicalize site


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