ChemSpider 2D Image | [4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-5-Yl](6-{[(3s,4r)-4-(4-Fluorophenyl)tetrahydrofuran-3-Yl]amino}pyrazin-2-Yl)methanone | C24H24FN7O2

[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-5-Yl](6-{[(3s,4r)-4-(4-Fluorophenyl)tetrahydrofuran-3-Yl]amino}pyrazin-2-Yl)methanone

  • Molecular FormulaC24H24FN7O2
  • Average mass461.491 Da
  • Monoisotopic mass461.197540 Da
  • ChemSpider ID26326056

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-5-Yl](6-{[(3s,4r)-4-(4-Fluorophenyl)tetrahydrofuran-3-Yl]amino}pyrazin-2-Yl)methanone
(4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)(6-{[(3S,4R)-4-(4-fluorophenyl)tetrahydro-3-furanyl]amino}-2-pyrazinyl)methanone [ACD/IUPAC Name]
(4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)(6-{[(3S,4R)-4-(4-fluorophényl)tétrahydro-3-furanyl]amino}-2-pyrazinyl)méthanone [French] [ACD/IUPAC Name]
(4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)(6-{[(3S,4R)-4-(4-fluorphenyl)tetrahydro-3-furanyl]amino}-2-pyrazinyl)methanon [German] [ACD/IUPAC Name]
ABQ
Methanone, [4-amino-7-(1-methylethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl][6-[[(3S,4R)-4-(4-fluorophenyl)tetrahydro-3-furanyl]amino]-2-pyrazinyl]- [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: 718.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 388.0±32.9 °C
Index of Refraction: 1.720
Molar Refractivity: 123.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.13
ACD/KOC (pH 5.5): 822.24
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.20
ACD/KOC (pH 7.4): 852.27
Polar Surface Area: 121 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 312.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement