Found 1 result

Search term: C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@H]([C@H](C4)F)OC)O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (1R)-1-{6-({2-[(3S,4R)-3-Fluoro-4-methoxy-1-piperidinyl]-4-pyrimidinyl}amino)-1-[(2S)-1,1,1-trifluoro-2-propanyl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol | C21H25F4N7O2

(1R)-1-{6-({2-[(3S,4R)-3-Fluoro-4-methoxy-1-piperidinyl]-4-pyrimidinyl}amino)-1-[(2S)-1,1,1-trifluoro-2-propanyl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol

  • Molecular FormulaC21H25F4N7O2
  • Average mass483.462 Da
  • Monoisotopic mass483.200592 Da
  • ChemSpider ID59052769

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R)-1-{6-({2-[(3S,4R)-3-Fluor-4-methoxy-1-piperidinyl]-4-pyrimidinyl}amino)-1-[(2S)-1,1,1-trifluor-2-propanyl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol [German] [ACD/IUPAC Name]
(1R)-1-{6-({2-[(3S,4R)-3-Fluoro-4-methoxy-1-piperidinyl]-4-pyrimidinyl}amino)-1-[(2S)-1,1,1-trifluoro-2-propanyl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol [ACD/IUPAC Name]
(1R)-1-{6-({2-[(3S,4R)-3-Fluoro-4-méthoxy-1-pipéridinyl]-4-pyrimidinyl}amino)-1-[(2S)-1,1,1-trifluoro-2-propanyl]-1H-imidazo[4,5-c]pyridin-2-yl}éthanol [French] [ACD/IUPAC Name]
(1r)-1-{6-({2-[(3s,4r)-3-Fluoro-4-Methoxypiperidin-1-Yl]pyrimidin-4-Yl}amino)-1-[(2s)-1,1,1-Trifluoropropan-2-Yl]-1h-Imidazo[4,5-C]pyridin-2-Yl}ethanol
1H-Imidazo[4,5-c]pyridine-2-methanol, 6-[[2-[(3S,4R)-3-fluoro-4-methoxy-1-piperidinyl]-4-pyrimidinyl]amino]-α-methyl-1-[(1S)-2,2,2-trifluoro-1-methylethyl]-, (αR)- [ACD/Index Name]
4ZR

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

Density: 1.5±0.1 g/cm3
Boiling Point: 639.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 340.7±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 114.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 9.50
ACD/KOC (pH 5.5): 68.25
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 193.66
ACD/KOC (pH 7.4): 1391.20
Polar Surface Area: 101 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 319.5±7.0 cm3

Click to predict properties on the Chemicalize site


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