ChemSpider 2D Image | 4-{4-[(3R)-3-Methyl-4-morpholinyl]-6-[(2R)-2-(S-methylsulfonimidoyl)cyclopropyl]-2-pyrimidinyl}-1H-pyrrolo[2,3-b]pyridine | C20H24N6O2S

4-{4-[(3R)-3-Methyl-4-morpholinyl]-6-[(2R)-2-(S-methylsulfonimidoyl)cyclopropyl]-2-pyrimidinyl}-1H-pyrrolo[2,3-b]pyridine

  • Molecular FormulaC20H24N6O2S
  • Average mass412.509 Da
  • Monoisotopic mass412.168152 Da
  • ChemSpider ID44210252

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1H-Pyrrolo[2,3-b]pyridine, 4-[4-[(3R)-3-methyl-4-morpholinyl]-6-[(2R)-2-(S-methylsulfonimidoyl)cyclopropyl]-2-pyrimidinyl]- [ACD/Index Name]
4-{4-[(3R)-3-Methyl-4-morpholinyl]-6-[(2R)-2-(S-methylsulfonimidoyl)cyclopropyl]-2-pyrimidinyl}-1H-pyrrolo[2,3-b]pyridin [German] [ACD/IUPAC Name]
4-{4-[(3R)-3-Methyl-4-morpholinyl]-6-[(2R)-2-(S-methylsulfonimidoyl)cyclopropyl]-2-pyrimidinyl}-1H-pyrrolo[2,3-b]pyridine [ACD/IUPAC Name]
4-{4-[(3R)-3-Méthyl-4-morpholinyl]-6-[(2R)-2-(S-méthylsulfonimidoyl)cyclopropyl]-2-pyrimidinyl}-1H-pyrrolo[2,3-b]pyridine [French] [ACD/IUPAC Name]
(3R)-3-methyl-4-(6-((2R)-2-((R)-S-methylsulfonimidoyl)cyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl)morpholine
1352226-88-0 [RN]
AZD6738
AZD-6738

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.765
Molar Refractivity: 110.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 116 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 64.1±7.0 dyne/cm
Molar Volume: 266.0±7.0 cm3

Click to predict properties on the Chemicalize site


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