ChemSpider 2D Image | N-[(3R)-4-Fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}-3-pyrrolidinyl]acrylamide | C18H22FN9O2

N-[(3R)-4-Fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}-3-pyrrolidinyl]acrylamide

  • Molecular FormulaC18H22FN9O2
  • Average mass415.425 Da
  • Monoisotopic mass415.188049 Da
  • ChemSpider ID78430946

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-Propenamide, N-[(3R)-4-fluoro-1-[6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl]-3-pyrrolidinyl]- [ACD/Index Name]
N-[(3R)-4-Fluor-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}-3-pyrrolidinyl]acrylamid [German] [ACD/IUPAC Name]
N-[(3R)-4-Fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}-3-pyrrolidinyl]acrylamide [ACD/IUPAC Name]
N-[(3R)-4-Fluoro-1-{6-[(3-méthoxy-1-méthyl-1H-pyrazol-4-yl)amino]-9-méthyl-9H-purin-2-yl}-3-pyrrolidinyl]acrylamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.715
Molar Refractivity: 106.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.82
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 36.41
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 36.92
Polar Surface Area: 115 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 271.9±7.0 cm3

Click to predict properties on the Chemicalize site


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