ChemSpider 2D Image | N-(3-Nitrobenzyl)-6-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine | C23H21F3N8O2

N-(3-Nitrobenzyl)-6-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC23H21F3N8O2
  • Average mass498.460 Da
  • Monoisotopic mass498.173950 Da
  • ChemSpider ID28648767

More details:






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

N-(3-Nitrobenzyl)-6-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-(trifluormethyl)pyrido[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-(3-Nitrobenzyl)-6-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-(3-Nitrobenzyl)-6-[1-(4-pipéridinyl)-1H-pyrazol-4-yl]-2-(trifluorométhyl)pyrido[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
N-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-D]pyrimidin-4-amine
Pyrido[2,3-d]pyrimidin-4-amine, N-[(3-nitrophenyl)methyl]-6-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 603.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 319.0±31.5 °C
Index of Refraction: 1.707
Molar Refractivity: 123.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.64
Polar Surface Area: 126 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 318.2±7.0 cm3

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