ChemSpider 2D Image | 4-Amino-1-[(3R)-1-(2-butynoyl)-3-pyrrolidinyl]-3-[4-(2,6-difluorophenoxy)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one | C26H21F2N5O3

4-Amino-1-[(3R)-1-(2-butynoyl)-3-pyrrolidinyl]-3-[4-(2,6-difluorophenoxy)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one

  • Molecular FormulaC26H21F2N5O3
  • Average mass489.473 Da
  • Monoisotopic mass489.161255 Da
  • ChemSpider ID94287367
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-Amino-1-[(3R)-1-(2-butynoyl)-3-pyrrolidinyl]-3-[4-(2,6-difluorophenoxy)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one [ACD/IUPAC Name]
4-Amino-1-[(3R)-1-(2-butynoyl)-3-pyrrolidinyl]-3-[4-(2,6-difluorophénoxy)phényl]-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one [French] [ACD/IUPAC Name]
4-Amino-1-[(3R)-1-(2-butynoyl)-3-pyrrolidinyl]-3-[4-(2,6-difluorphenoxy)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-on [German] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyridazin-7-one, 4-amino-3-[4-(2,6-difluorophenoxy)phenyl]-1,6-dihydro-1-[(3R)-1-(1-oxo-2-butyn-1-yl)-3-pyrrolidinyl]- [ACD/Index Name]
1858206-58-2 [RN]
4-amino-1-[(3R)-1-(but-2-ynoyl)pyrrolidin-3-yl]-3-[4-(2,6-difluorophenoxy)phenyl]-1H,6H,7H-pyrrolo[2,3-d]pyridazin-7-one
MFCD32667623

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: 1.674
Molar Refractivity: 128.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.85
ACD/KOC (pH 5.5): 571.09
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.75
ACD/KOC (pH 7.4): 569.94
Polar Surface Area: 102 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 341.8±7.0 cm3

Click to predict properties on the Chemicalize site






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