ChemSpider 2D Image | 1-[(3S,4R)-4-(3-Fluorophenyl)-1-(2-methoxyethyl)-3-pyrrolidinyl]-3-[4-methyl-3-(2-methyl-5-pyrimidinyl)-1-phenyl-1H-pyrazol-5-yl]urea | C29H32FN7O2

1-[(3S,4R)-4-(3-Fluorophenyl)-1-(2-methoxyethyl)-3-pyrrolidinyl]-3-[4-methyl-3-(2-methyl-5-pyrimidinyl)-1-phenyl-1H-pyrazol-5-yl]urea

  • Molecular FormulaC29H32FN7O2
  • Average mass529.609 Da
  • Monoisotopic mass529.260132 Da
  • ChemSpider ID115009485

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(3S,4R)-4-(3-Fluorophenyl)-1-(2-methoxyethyl)-3-pyrrolidinyl]-3-[4-methyl-3-(2-methyl-5-pyrimidinyl)-1-phenyl-1H-pyrazol-5-yl]urea [ACD/IUPAC Name]
1-[(3S,4R)-4-(3-Fluorophényl)-1-(2-méthoxyéthyl)-3-pyrrolidinyl]-3-[4-méthyl-3-(2-méthyl-5-pyrimidinyl)-1-phényl-1H-pyrazol-5-yl]urée [French] [ACD/IUPAC Name]
1-[(3S,4R)-4-(3-Fluorphenyl)-1-(2-methoxyethyl)-3-pyrrolidinyl]-3-[4-methyl-3-(2-methyl-5-pyrimidinyl)-1-phenyl-1H-pyrazol-5-yl]harnstoff [German] [ACD/IUPAC Name]
Urea, N-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)-3-pyrrolidinyl]-N'-[4-methyl-3-(2-methyl-5-pyrimidinyl)-1-phenyl-1H-pyrazol-5-yl]- [ACD/Index Name]
1-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-5-(2-methylpyrimidin-5-yl)-2-phenylpyrazol-3-yl]urea
1824664-89-2 [RN]
Anizatrectinib
hTrkA-IN-1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 653.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.7±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 148.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 11.99
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 80.19
ACD/KOC (pH 7.4): 577.90
Polar Surface Area: 97 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 405.3±7.0 cm3

Click to predict properties on the Chemicalize site


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