ChemSpider 2D Image | 1-{5-Oxo-3-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(2-pyridinylmethyl)methanesulfonamide | C29H28N6O3S

1-{5-Oxo-3-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(2-pyridinylmethyl)methanesulfonamide

  • Molecular FormulaC29H28N6O3S
  • Average mass540.636 Da
  • Monoisotopic mass540.194336 Da
  • ChemSpider ID29411853

More details:






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

1-{5-Oxo-3-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(2-pyridinylmethyl)methanesulfonamide [ACD/IUPAC Name]
1-{5-Oxo-3-[1-(4-pipéridinyl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(2-pyridinylméthyl)méthanesulfonamide [French] [ACD/IUPAC Name]
1-{5-Oxo-3-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(2-pyridinylmethyl)methansulfonamid [German] [ACD/IUPAC Name]
1-{5-Oxo-3-[1-(Piperidin-4-Yl)-1h-Pyrazol-4-Yl]-5h-Benzo[4,5]cyclohepta[1,2-B]pyridin-7-Yl}-N-(Pyridin-2-Ylmethyl)methanesulfonamide
5H-Benzo[4,5]cyclohepta[1,2-b]pyridine-7-methanesulfonamide, 5-oxo-3-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-N-(2-pyridinylmethyl)- [ACD/Index Name]
10.1021/jm301619u
1JC

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

Density: 1.4±0.1 g/cm3
Boiling Point: 822.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 451.3±37.1 °C
Index of Refraction: 1.725
Molar Refractivity: 150.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.03
Polar Surface Area: 127 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 62.0±7.0 dyne/cm
Molar Volume: 379.5±7.0 cm3

Click to predict properties on the Chemicalize site






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