ChemSpider 2D Image | (1S,3R)-3-Acetamido-N-[5-chloro-4-(5,5-dimethyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-2-pyridinyl]cyclohexanecarboxamide | C22H28ClN5O2

(1S,3R)-3-Acetamido-N-[5-chloro-4-(5,5-dimethyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-2-pyridinyl]cyclohexanecarboxamide

  • Molecular FormulaC22H28ClN5O2
  • Average mass429.943 Da
  • Monoisotopic mass429.193146 Da
  • ChemSpider ID67896569

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3R)-3-Acetamido-N-[5-chlor-4-(5,5-dimethyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-2-pyridinyl]cyclohexancarboxamid [German] [ACD/IUPAC Name]
(1S,3R)-3-Acetamido-N-[5-chloro-4-(5,5-dimethyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-2-pyridinyl]cyclohexanecarboxamide [ACD/IUPAC Name]
(1S,3R)-3-Acétamido-N-[5-chloro-4-(5,5-diméthyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-2-pyridinyl]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
Cyclohexanecarboxamide, 3-(acetylamino)-N-[5-chloro-4-(5,6-dihydro-5,5-dimethyl-4H-pyrrolo[1,2-b]pyrazol-3-yl)-2-pyridinyl]-, (1S,3R)- [ACD/Index Name]
(1S,3R)-3-Acetamido-N-(5-chloro-4-(5,5-dimethyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl)cyclohexane-1-carboxamide
(1S,3R)-3-Acetamido-N-(5-chloro-4-(5,5-dimethyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl)cyclohexanecarboxamide
(1S,3R)-3-acetamido-N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide
2057509-72-3 [RN]
2057509-72-3 (free base)
AZD4573
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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: 692.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.8±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 116.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.73
ACD/KOC (pH 5.5): 1635.46
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.75
ACD/KOC (pH 7.4): 1635.64
Polar Surface Area: 89 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 308.7±7.0 cm3

Click to predict properties on the Chemicalize site


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