ChemSpider 2D Image | 1-{4-[2-(Isopropylamino)-5-(4-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}-3-(1H-1,2,4-triazol-1-yl)-1-propanone | C22H28N8O

1-{4-[2-(Isopropylamino)-5-(4-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}-3-(1H-1,2,4-triazol-1-yl)-1-propanone

  • Molecular FormulaC22H28N8O
  • Average mass420.511 Da
  • Monoisotopic mass420.238617 Da
  • ChemSpider ID24989387

More details:

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

1-{4-[2-(Isopropylamino)-5-(4-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}-3-(1H-1,2,4-triazol-1-yl)-1-propanon [German] [ACD/IUPAC Name]
1-{4-[2-(Isopropylamino)-5-(4-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}-3-(1H-1,2,4-triazol-1-yl)-1-propanone [ACD/IUPAC Name]
1-{4-[2-(Isopropylamino)-5-(4-pyridinyl)-4-pyrimidinyl]-1-pipéridinyl}-3-(1H-1,2,4-triazol-1-yl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[2-[(1-methylethyl)amino]-5-(4-pyridinyl)-4-pyrimidinyl]-1-piperidinyl]-3-(1H-1,2,4-triazol-1-yl)- [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: 679.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.5±34.3 °C
Index of Refraction: 1.683
Molar Refractivity: 120.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.48
ACD/KOC (pH 5.5): 132.35
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.51
ACD/KOC (pH 7.4): 133.08
Polar Surface Area: 102 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 317.8±7.0 cm3

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