ChemSpider 2D Image | Anagliptin | C19H25N7O2

Anagliptin

  • Molecular FormulaC19H25N7O2
  • Average mass383.448 Da
  • Monoisotopic mass383.206970 Da
  • ChemSpider ID28492667
  • defined stereocentres - 1 of 1 defined stereocentres


More details:



Featured data source



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

739366-20-2 [RN]
Anagliptin [INN] [Wiki]
Anagliptina [Spanish] [INN]
Anagliptine [French] [INN]
Anagliptinum [Latin] [INN]
N-[2-({2-[(2S)-2-Cyan-1-pyrrolidinyl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
N-[2-({2-[(2S)-2-Cyano-1-pyrrolidinyl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide [ACD/IUPAC Name]
N-[2-({2-[(2S)-2-Cyano-1-pyrrolidinyl]-2-oxoéthyl}amino)-2-méthylpropyl]-2-méthylpyrazolo[1,5-a]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-6-carboxamide, N-[2-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-2-methylpropyl]-2-methyl- [ACD/Index Name]
(S)-N-(2-((2-(2-Cyanopyrrolidin-1-yl)-2-oxoethyl)amino)-2-methylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 106.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.26
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.18
Polar Surface Area: 115 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 287.3±7.0 cm3

Click to predict properties on the Chemicalize site





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