ChemSpider 2D Image | HPH1166CKX | C18H22N4O2

HPH1166CKX

  • Molecular FormulaC18H22N4O2
  • Average mass326.393 Da
  • Monoisotopic mass326.174286 Da
  • ChemSpider ID58827925
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

1H-Pyrrolo[2,3-b]pyridine-5-carboxamide, 4-[[(1R,3S)-5-hydroxytricyclo[3.3.1.13,7]dec-2-yl]amino]- [ACD/Index Name]
4-{[(1R,2s,3S,5r)-5-Hydroxyadamantan-2-yl]amino}-1H-pyrrolo[2,3-b]pyridin-5-carboxamid [German] [ACD/IUPAC Name]
4-{[(1R,2s,3S,5r)-5-Hydroxyadamantan-2-yl]amino}-1H-pyrrolo[2,3-b]pyridine-5-carboxamide [ACD/IUPAC Name]
4-{[(1R,2s,3S,5r)-5-Hydroxyadamantan-2-yl]amino}-1H-pyrrolo[2,3-b]pyridine-5-carboxamide [French] [ACD/IUPAC Name]
944118-01-8 [RN]
HPH1166CKX
Peficitinib [INN] [USAN]
UNII:HPH1166CKX

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

9910 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 626.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 332.4±31.5 °C
Index of Refraction: 1.777
Molar Refractivity: 92.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 2.92
ACD/KOC (pH 5.5): 40.52
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.16
ACD/KOC (pH 7.4): 321.16
Polar Surface Area: 104 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 86.8±3.0 dyne/cm
Molar Volume: 220.5±3.0 cm3

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