ChemSpider 2D Image | 3-(4-Fluorobenzyl)-N-{1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}-3H-imidazo[4,5-b]pyridin-2-amine | C27H28FN5

3-(4-Fluorobenzyl)-N-{1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}-3H-imidazo[4,5-b]pyridin-2-amine

  • Molecular FormulaC27H28FN5
  • Average mass441.543 Da
  • Monoisotopic mass441.232880 Da
  • ChemSpider ID23151860

  • Double-bond stereo - Double-bond stereo

More details:

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

3-(4-Fluorbenzyl)-N-{1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}-3H-imidazo[4,5-b]pyridin-2-amin [German] [ACD/IUPAC Name]
3-(4-Fluorobenzyl)-N-{1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}-3H-imidazo[4,5-b]pyridin-2-amine [ACD/IUPAC Name]
3-(4-Fluorobenzyl)-N-{1-[(2E)-3-phényl-2-propén-1-yl]-4-pipéridinyl}-3H-imidazo[4,5-b]pyridin-2-amine [French] [ACD/IUPAC Name]
3H-Imidazo[4,5-b]pyridin-2-amine, 3-[(4-fluorophenyl)methyl]-N-[1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl]- [ACD/Index Name]
[3-(4-Fluoro-benzyl)-3H-imidazo[4,5-b]pyridin-2-yl]-[1-(3-phenyl-allyl)-piperidin-4-yl]-amine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL292240/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 641.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.6±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 131.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 2.67
ACD/KOC (pH 5.5): 8.32
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 389.19
ACD/KOC (pH 7.4): 1214.33
Polar Surface Area: 46 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 362.9±7.0 cm3

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