ChemSpider 2D Image | 2-[(2R)-1-(3-Ethyl-7-{[(1-oxido-3-pyridinyl)methyl]amino}pyrazolo[1,5-a]pyrimidin-5-yl)-2-piperidinyl]ethanol | C21H28N6O2

2-[(2R)-1-(3-Ethyl-7-{[(1-oxido-3-pyridinyl)methyl]amino}pyrazolo[1,5-a]pyrimidin-5-yl)-2-piperidinyl]ethanol

  • Molecular FormulaC21H28N6O2
  • Average mass396.486 Da
  • Monoisotopic mass396.227386 Da
  • ChemSpider ID21437057

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(2R)-1-(3-Ethyl-7-{[(1-oxido-3-pyridinyl)methyl]amino}pyrazolo[1,5-a]pyrimidin-5-yl)-2-piperidinyl]ethanol [ACD/IUPAC Name]
2-[(2R)-1-(3-Ethyl-7-{[(1-oxido-3-pyridinyl)methyl]amino}pyrazolo[1,5-a]pyrimidin-5-yl)-2-piperidinyl]ethanol [German] [ACD/IUPAC Name]
2-[(2R)-1-(3-Éthyl-7-{[(1-oxydo-3-pyridinyl)méthyl]amino}pyrazolo[1,5-a]pyrimidin-5-yl)-2-pipéridinyl]éthanol [French] [ACD/IUPAC Name]
2-Piperidineethanol, 1-[3-ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-, (2R)- [ACD/Index Name]
SCH-727965

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 111.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.45
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.71
ACD/KOC (pH 7.4): 62.75
Polar Surface Area: 91 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 296.6±7.0 cm3

Click to predict properties on the Chemicalize site


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