ChemSpider 2D Image | [4-(6-Methyl-8-{[3-(1-piperidinylmethyl)-1,2-thiazol-5-yl]amino}imidazo[1,2-a]pyrazin-3-yl)-1H-pyrazol-1-yl]acetic acid | C21H24N8O2S

[4-(6-Methyl-8-{[3-(1-piperidinylmethyl)-1,2-thiazol-5-yl]amino}imidazo[1,2-a]pyrazin-3-yl)-1H-pyrazol-1-yl]acetic acid

  • Molecular FormulaC21H24N8O2S
  • Average mass452.533 Da
  • Monoisotopic mass452.174286 Da
  • ChemSpider ID28508407

More details:

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

[4-(6-Methyl-8-{[3-(1-piperidinylmethyl)-1,2-thiazol-5-yl]amino}imidazo[1,2-a]pyrazin-3-yl)-1H-pyrazol-1-yl]acetic acid [ACD/IUPAC Name]
[4-(6-Methyl-8-{[3-(1-piperidinylmethyl)-1,2-thiazol-5-yl]amino}imidazo[1,2-a]pyrazin-3-yl)-1H-pyrazol-1-yl]essigsäure [German] [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 4-[6-methyl-8-[[3-(1-piperidinylmethyl)-5-isothiazolyl]amino]imidazo[1,2-a]pyrazin-3-yl]- [ACD/Index Name]
Acide [4-(6-méthyl-8-{[3-(1-pipéridinylméthyl)-1,2-thiazol-5-yl]amino}imidazo[1,2-a]pyrazin-3-yl)-1H-pyrazol-1-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.785
Molar Refractivity: 123.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 70.4±7.0 dyne/cm
Molar Volume: 291.9±7.0 cm3

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