ChemSpider 2D Image | (2R)-2-{6-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-1-oxo-3H-isoindol-2-yl}-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide | C29H31ClFN5O5

(2R)-2-{6-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-1-oxo-3H-isoindol-2-yl}-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide

  • Molecular FormulaC29H31ClFN5O5
  • Average mass584.038 Da
  • Monoisotopic mass583.199768 Da
  • ChemSpider ID98644122

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-(6-{5-chloro-2-[(oxan-4-yl)amino]pyrimidin-4-yl}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide
(2R)-2-{6-[5-Chlor-2-(tetrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-[(1S)-1-(3-fluor-5-methoxyphenyl)-2-hydroxyethyl]propanamid [German] [ACD/IUPAC Name]
(2R)-2-{6-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-1-oxo-3H-isoindol-2-yl}-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide
(2R)-2-{6-[5-Chloro-2-(tetrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide [ACD/IUPAC Name]
(2R)-2-{6-[5-Chloro-2-(tétrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-[(1S)-1-(3-fluoro-5-méthoxyphényl)-2-hydroxyéthyl]propanamide [French] [ACD/IUPAC Name]
2095719-92-7 [RN]
2H-Isoindole-2-acetamide, 6-[5-chloro-2-[(tetrahydro-2H-pyran-4-yl)amino]-4-pyrimidinyl]-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-1,3-dihydro-α-methyl-1-oxo-, (αR)- [ACD/Index Name]
(2R)-2-[5-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide
(R)-2-(6-(5-Chloro-2-((tetrahydro-2H-pyran-4-yl)amino)pyrimidin-4-yl)-1-oxoisoindolin-2-yl)-N-((S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl)propanamide
(αR)-6-[5-chloro-2-[(tetrahydro-2H-pyran-4-yl)amino]-4-pyrimidinyl]-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-1,3-dihydro-α-methyl-1-oxo-2H-isoindole-2-acetamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 150.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.12
ACD/KOC (pH 5.5): 398.23
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.12
ACD/KOC (pH 7.4): 398.28
Polar Surface Area: 126 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 421.0±3.0 cm3

Click to predict properties on the Chemicalize site


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