ChemSpider 2D Image | 3-[1-(2,5-Difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine | C21H16F2N6

3-[1-(2,5-Difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

  • Molecular FormulaC21H16F2N6
  • Average mass390.389 Da
  • Monoisotopic mass390.140442 Da
  • ChemSpider ID30819267

More details:






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

1H-Pyrrolo[2,3-b]pyridine, 3-[1-[(2,5-difluorophenyl)methyl]-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)- [ACD/Index Name]
3-[1-(2,5-Difluorbenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin [German] [ACD/IUPAC Name]
3-[1-(2,5-Difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine [ACD/IUPAC Name]
3-[1-(2,5-Difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-méthyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine [French] [ACD/IUPAC Name]
10.1016/j.bmcl.2013.06.071
3DK

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.706
Molar Refractivity: 106.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.10
ACD/KOC (pH 5.5): 1209.69
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 145.35
ACD/KOC (pH 7.4): 1228.68
Polar Surface Area: 64 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 273.2±7.0 cm3

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