ChemSpider 2D Image | (6R)-6-Methyl-1-(6-{6-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridin-1-yl}-2-pyridinyl)-1,4-diazepan-6-ol | C22H23F3N8O

(6R)-6-Methyl-1-(6-{6-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridin-1-yl}-2-pyridinyl)-1,4-diazepan-6-ol

  • Molecular FormulaC22H23F3N8O
  • Average mass472.466 Da
  • Monoisotopic mass472.194702 Da
  • ChemSpider ID76798214

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6R)-6-Methyl-1-(6-{6-[1-(2,2,2-trifluorethyl)-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridin-1-yl}-2-pyridinyl)-1,4-diazepan-6-ol [German] [ACD/IUPAC Name]
(6R)-6-Methyl-1-(6-{6-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridin-1-yl}-2-pyridinyl)-1,4-diazepan-6-ol [ACD/IUPAC Name]
(6R)-6-Méthyl-1-(6-{6-[1-(2,2,2-trifluoroéthyl)-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridin-1-yl}-2-pyridinyl)-1,4-diazépan-6-ol [French] [ACD/IUPAC Name]
1H-1,4-Diazepin-6-ol, hexahydro-6-methyl-1-[6-[6-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-, (6R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 643.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 343.0±31.5 °C
Index of Refraction: 1.683
Molar Refractivity: 119.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.47
Polar Surface Area: 97 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 315.5±7.0 cm3

Click to predict properties on the Chemicalize site


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