ChemSpider 2D Image | tert-butyl [6-(2'-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamate | C35H39N5O5

tert-butyl [6-(2'-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamate

  • Molecular FormulaC35H39N5O5
  • Average mass609.715 Da
  • Monoisotopic mass609.295105 Da
  • ChemSpider ID23299342
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

[6-(2'-{[(3R)-3-Hydroxy-1-pyrrolidinyl]méthyl}-4-biphénylyl)-1-(4-méthoxyphényl)-7-oxo-4,5,6,7-tétrahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [6-(2'-{[(3R)-3-hydroxy-1-pyrrolidinyl]methyl}-4-biphenylyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[6-(2'-{[(3R)-3-hydroxy-1-pyrrolidinyl]methyl}-4-biphenylyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[4,5,6,7-tetrahydro-6-[2'-[[(3R)-3-hydroxy-1-pyrrolidinyl]methyl][1,1'-biphenyl]-4-yl]-1-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[3,4-c]pyridin-3-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl [6-(2'-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamate
[6-[2'-((R)-3-hydroxy-pyrrolidin-1-ylmethyl)-biphenyl-4-yl]-1-(4-methoxy-phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-carbamic acid tert-butyl ester
Pyrazolopyridinone analogue, 21

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 772.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 420.9±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 171.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 2.50
ACD/KOC (pH 5.5): 10.57
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 90.33
ACD/KOC (pH 7.4): 382.74
Polar Surface Area: 109 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 472.3±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement