ChemSpider 2D Image | 2-Amino-N-{(3S,4R)-4-[(4'-{1-[4-(2-hydroxyethyl)-1-piperazinyl]ethyl}-4-biphenylyl)methoxy]-1-methyl-3-pyrrolidinyl}-5-(1-methyl-1H-pyrazol-4-yl)nicotinamide | C36H46N8O3

2-Amino-N-{(3S,4R)-4-[(4'-{1-[4-(2-hydroxyethyl)-1-piperazinyl]ethyl}-4-biphenylyl)methoxy]-1-methyl-3-pyrrolidinyl}-5-(1-methyl-1H-pyrazol-4-yl)nicotinamide

  • Molecular FormulaC36H46N8O3
  • Average mass638.802 Da
  • Monoisotopic mass638.369263 Da
  • ChemSpider ID129010125

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-Amino-N-{(3S,4R)-4-[(4'-{1-[4-(2-hydroxyethyl)-1-piperazinyl]ethyl}-4-biphenylyl)methoxy]-1-methyl-3-pyrrolidinyl}-5-(1-methyl-1H-pyrazol-4-yl)nicotinamid [German] [ACD/IUPAC Name]
2-Amino-N-{(3S,4R)-4-[(4'-{1-[4-(2-hydroxyethyl)-1-piperazinyl]ethyl}-4-biphenylyl)methoxy]-1-methyl-3-pyrrolidinyl}-5-(1-methyl-1H-pyrazol-4-yl)nicotinamide [ACD/IUPAC Name]
2-Amino-N-{(3S,4R)-4-[(4'-{1-[4-(2-hydroxyéthyl)-1-pipérazinyl]éthyl}-4-biphénylyl)méthoxy]-1-méthyl-3-pyrrolidinyl}-5-(1-méthyl-1H-pyrazol-4-yl)nicotinamide [French] [ACD/IUPAC Name]
3-Pyridinecarboxamide, 2-amino-N-[(3S,4R)-4-[[4'-[1-[4-(2-hydroxyethyl)-1-piperazinyl]ethyl][1,1'-biphenyl]-4-yl]methoxy]-1-methyl-3-pyrrolidinyl]-5-(1-methyl-1H-pyrazol-4-yl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 810.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 443.7±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 182.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.29
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 22.00
ACD/KOC (pH 7.4): 211.14
Polar Surface Area: 125 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 492.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement