ChemSpider 2D Image | [2-Chloro-5-(hydroxymethyl)phenyl]{5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanone | C23H22ClN5O2

[2-Chloro-5-(hydroxymethyl)phenyl]{5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanone

  • Molecular FormulaC23H22ClN5O2
  • Average mass435.906 Da
  • Monoisotopic mass435.146210 Da
  • ChemSpider ID35034853

More details:

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

[2-Chlor-5-(hydroxymethyl)phenyl]{5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanon [German] [ACD/IUPAC Name]
[2-Chloro-5-(hydroxymethyl)phenyl]{5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanone [ACD/IUPAC Name]
[2-Chloro-5-(hydroxyméthyl)phényl]{5-[1-(4-pipéridinyl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}méthanone [French] [ACD/IUPAC Name]
[2-Chloro-5-(Hydroxymethyl)phenyl]{5-[1-(Piperidin-4-Yl)-1h-Pyrazol-4-Yl]-1h-Pyrrolo[2,3-B]pyridin-3-Yl}methanone
Methanone, [2-chloro-5-(hydroxymethyl)phenyl][5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]- [ACD/Index Name]
2K0

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

Density: 1.5±0.1 g/cm3
Boiling Point: 744.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 403.8±32.9 °C
Index of Refraction: 1.739
Molar Refractivity: 118.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
Polar Surface Area: 96 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 293.5±7.0 cm3

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