ChemSpider 2D Image | 1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL | C20H30ClF2N7O

1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL

  • Molecular FormulaC20H30ClF2N7O
  • Average mass457.948 Da
  • Monoisotopic mass457.216858 Da
  • ChemSpider ID25060682

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-1-[2-({[(2R,3R,6R)-6-Amino-2-methyl-3-piperidinyl]methyl}amino)ethyl]-6-chlor-3-{[2,2-difluor-2-(2-pyridinyl)ethyl]amino}-1,2-dihydro-2-pyrazinol [German] [ACD/IUPAC Name]
(2R)-1-[2-({[(2R,3R,6R)-6-Amino-2-methyl-3-piperidinyl]methyl}amino)ethyl]-6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-1,2-dihydro-2-pyrazinol [ACD/IUPAC Name]
(2R)-1-[2-({[(2R,3R,6R)-6-Amino-2-méthyl-3-pipéridinyl]méthyl}amino)éthyl]-6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)éthyl]amino}-1,2-dihydro-2-pyrazinol [French] [ACD/IUPAC Name]
1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL
2-Pyrazinol, 1-[2-[[[(2R,3R,6R)-6-amino-2-methyl-3-piperidinyl]methyl]amino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(2-pyridinyl)ethyl]amino]-1,2-dihydro-, (2R)- [ACD/Index Name]
(2R)-1-[2-({[(2R,3R,6R)-6-amino-2-methylpiperidin-3-yl]methyl}amino)ethyl]-6-chloro-3-{[2,2-difluoro-2-(pyridin-2-yl)ethyl]amino}-1,2-dihydropyrazin-2-ol
(2R)-1-[2-({[(2R,3R,6R)-6-amino-2-methylpiperidin-3-yl]methyl}amino)ethyl]-6-chloro-3-{[2,2-difluoro-2-(pyridin-2-yl)ethyl]amino}-2H-pyrazin-2-ol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 635.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 338.3±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 113.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -4.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 316.8±7.0 cm3

Click to predict properties on the Chemicalize site


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