ChemSpider 2D Image | N-(5-Methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-{[5-(4-pyridinyl)-1H-pyrazol-3-yl]carbonyl}-2-pyrrolidinyl]benzamide | C27H27N7O2S

N-(5-Methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-{[5-(4-pyridinyl)-1H-pyrazol-3-yl]carbonyl}-2-pyrrolidinyl]benzamide

  • Molecular FormulaC27H27N7O2S
  • Average mass513.614 Da
  • Monoisotopic mass513.194702 Da
  • ChemSpider ID58892635

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, 3-[(2R)-1-[[5-(4-pyridinyl)-1H-pyrazol-3-yl]carbonyl]-2-pyrrolidinyl]-N-(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)- [ACD/Index Name]
N-(5-Methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-{[5-(4-pyridinyl)-1H-pyrazol-3-yl]carbonyl}-2-pyrrolidinyl]benzamid [German] [ACD/IUPAC Name]
N-(5-Methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-{[5-(4-pyridinyl)-1H-pyrazol-3-yl]carbonyl}-2-pyrrolidinyl]benzamide [ACD/IUPAC Name]
N-(5-Méthyl-4,5,6,7-tétrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-{[5-(4-pyridinyl)-1H-pyrazol-3-yl]carbonyl}-2-pyrrolidinyl]benzamide [French] [ACD/IUPAC Name]

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: 1.698
Molar Refractivity: 142.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.91
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 2.32
ACD/KOC (pH 7.4): 38.38
Polar Surface Area: 135 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 370.5±3.0 cm3

Click to predict properties on the Chemicalize site


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