ChemSpider 2D Image | (3S,6R)-1-[2-Amino-6-(3-amino-2H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-N-phenyl-3-piperidinecarboxamide | C24H26N8O

(3S,6R)-1-[2-Amino-6-(3-amino-2H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-N-phenyl-3-piperidinecarboxamide

  • Molecular FormulaC24H26N8O
  • Average mass442.516 Da
  • Monoisotopic mass442.222961 Da
  • ChemSpider ID26325533

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,6R)-1-[2-Amino-6-(3-amino-2H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-N-phenyl-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3S,6R)-1-[2-Amino-6-(3-amino-2H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-N-phenyl-3-piperidinecarboxamide [ACD/IUPAC Name]
(3S,6R)-1-[2-Amino-6-(3-amino-2H-indazol-6-yl)-4-pyrimidinyl]-6-méthyl-N-phényl-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
(3s,6r)-1-[2-Amino-6-(3-Amino-2h-Indazol-6-Yl)pyrimidin-4-Yl]-6-Methyl-N-Phenylpiperidine-3-Carboxamide
3-Piperidinecarboxamide, 1-[2-amino-6-(3-amino-2H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-N-phenyl-, (3S,6R)- [ACD/Index Name]
3Q4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.734
Molar Refractivity: 129.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.01
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 4.51
ACD/KOC (pH 7.4): 69.17
Polar Surface Area: 139 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 80.4±3.0 dyne/cm
Molar Volume: 322.2±3.0 cm3

Click to predict properties on the Chemicalize site


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