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Search term: YAALCKJNOOFODD-SKNMWMDOSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-{2-[(1R,3S,5R)-3-{[(1R)-1-(3-Chloro-2-fluorophenyl)ethyl]carbamoyl}-2-azabicyclo[3.1.0]hex-2-yl]-2-oxoethyl}-1H-pyrazolo[3,4-c]pyridine-3-carboxamide | C23H22ClFN6O3

1-{2-[(1R,3S,5R)-3-{[(1R)-1-(3-Chloro-2-fluorophenyl)ethyl]carbamoyl}-2-azabicyclo[3.1.0]hex-2-yl]-2-oxoethyl}-1H-pyrazolo[3,4-c]pyridine-3-carboxamide

  • Molecular FormulaC23H22ClFN6O3
  • Average mass484.911 Da
  • Monoisotopic mass484.142609 Da
  • ChemSpider ID58907926

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-{2-[(1R,3S,5R)-3-{[(1R)-1-(3-Chlor-2-fluorphenyl)ethyl]carbamoyl}-2-azabicyclo[3.1.0]hex-2-yl]-2-oxoethyl}-1H-pyrazolo[3,4-c]pyridin-3-carboxamid [German] [ACD/IUPAC Name]
1-{2-[(1R,3S,5R)-3-{[(1R)-1-(3-Chloro-2-fluorophenyl)ethyl]carbamoyl}-2-azabicyclo[3.1.0]hex-2-yl]-2-oxoethyl}-1H-pyrazolo[3,4-c]pyridine-3-carboxamide [ACD/IUPAC Name]
1-{2-[(1R,3S,5R)-3-{[(1R)-1-(3-Chloro-2-fluorophényl)éthyl]carbamoyl}-2-azabicyclo[3.1.0]hex-2-yl]-2-oxoéthyl}-1H-pyrazolo[3,4-c]pyridine-3-carboxamide [French] [ACD/IUPAC Name]
2-Azabicyclo[3.1.0]hexane-3-carboxamide, 2-[2-[3-(aminocarbonyl)-1H-pyrazolo[3,4-c]pyridin-1-yl]acetyl]-N-[(1R)-1-(3-chloro-2-fluorophenyl)ethyl]-, (1R,3S,5R)- [ACD/Index Name]
1-[2-[(1{r},3{s},5{r})-3-[[(1{r})-1-(3-Chloranyl-2-Fluoranyl-Phenyl)ethyl]carbamoyl]-2-Azabicyclo[3.1.0]hexan-2-Yl]-2-Oxidanylidene-Ethyl]pyrazolo[3,4-C]pyridine-3-Carboxamide
1386455-51-1 [RN]
5WC
Factor D inhibitor 6

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

Density: 1.6±0.1 g/cm3
Boiling Point: 817.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 448.4±34.3 °C
Index of Refraction: 1.760
Molar Refractivity: 121.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.37
ACD/KOC (pH 5.5): 54.47
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.28
ACD/KOC (pH 7.4): 98.18
Polar Surface Area: 123 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 65.8±7.0 dyne/cm
Molar Volume: 295.5±7.0 cm3

Click to predict properties on the Chemicalize site


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