Found 1 result

Search term: PCKOOTOQVCFRHS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-{5-Oxo-3-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(2-pyridinylmethyl)propanamide | C31H30N6O2

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

  • Molecular FormulaC31H30N6O2
  • Average mass518.609 Da
  • Monoisotopic mass518.243042 Da
  • ChemSpider ID26328716

More details:

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

3-{5-Oxo-3-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(2-pyridinylmethyl)propanamid [German] [ACD/IUPAC Name]
3-{5-Oxo-3-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(2-pyridinylmethyl)propanamide [ACD/IUPAC Name]
3-{5-Oxo-3-[1-(4-pipéridinyl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(2-pyridinylméthyl)propanamide [French] [ACD/IUPAC Name]
3-{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)propanamide
5H-Benzo[4,5]cyclohepta[1,2-b]pyridine-7-propanamide, 5-oxo-3-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-N-(2-pyridinylmethyl)- [ACD/Index Name]
Q6W

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

Density: 1.3±0.1 g/cm3
Boiling Point: 841.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 462.8±34.3 °C
Index of Refraction: 1.705
Molar Refractivity: 151.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.37
Polar Surface Area: 102 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 388.7±7.0 cm3

Click to predict properties on the Chemicalize site


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