ChemSpider 2D Image | (3-Amino-1-azetidinyl)[(2S)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-2-pyrrolidinyl]methanone | C20H25N9O

(3-Amino-1-azetidinyl)[(2S)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-2-pyrrolidinyl]methanone

  • Molecular FormulaC20H25N9O
  • Average mass407.472 Da
  • Monoisotopic mass407.218201 Da
  • ChemSpider ID34957738

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3-Amino-1-azetidinyl)[(2S)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-2-pyrrolidinyl]methanon [German] [ACD/IUPAC Name]
(3-Amino-1-azetidinyl)[(2S)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-2-pyrrolidinyl]methanone [ACD/IUPAC Name]
(3-Amino-1-azétidinyl)[(2S)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-2-pyrrolidinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, (3-amino-1-azetidinyl)[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyrrolidinyl]- [ACD/Index Name]
US8592579, 73

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.910
Molar Refractivity: 109.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.32
Polar Surface Area: 120 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 86.7±7.0 dyne/cm
Molar Volume: 233.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement