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Search term: VFTQZQGHFFDMQS-RSNHQYPWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1S)-2,2-Difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}-6-methyl-3-azabicyclo[3.1.0]hex-1-yl]cyclopropanecarboxamide | C18H20F3N7O

(1S)-2,2-Difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}-6-methyl-3-azabicyclo[3.1.0]hex-1-yl]cyclopropanecarboxamide

  • Molecular FormulaC18H20F3N7O
  • Average mass407.393 Da
  • Monoisotopic mass407.168152 Da
  • ChemSpider ID115010346

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S)-2,2-Difluor-N-[(1S,5R,6R)-3-{5-fluor-2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}-6-methyl-3-azabicyclo[3.1.0]hex-1-yl]cyclopropancarboxamid [German] [ACD/IUPAC Name]
(1S)-2,2-Difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}-6-methyl-3-azabicyclo[3.1.0]hex-1-yl]cyclopropanecarboxamide [ACD/IUPAC Name]
(1S)-2,2-Difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-méthyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}-6-méthyl-3-azabicyclo[3.1.0]hex-1-yl]cyclopropanecarboxamide [French] [ACD/IUPAC Name]
Cyclopropanecarboxamide, 2,2-difluoro-N-[(1S,5R,6R)-3-[5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-6-methyl-3-azabicyclo[3.1.0]hex-1-yl]-, (1S)- [ACD/Index Name]
(1S)-2,2-difluoro-N-[(1S,5R,6R)-3-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
1883300-48-8 [RN]
JAK1/TYK2-IN-1

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.744
Molar Refractivity: 97.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.15
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 28.63
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.25
ACD/KOC (pH 7.4): 97.23
Polar Surface Area: 88 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 239.7±7.0 cm3

Click to predict properties on the Chemicalize site


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