4-[6-Oxo-3-(2-Phenylpyrazolo[1,5-A]Pyridin-3-Yl)-1(6H)-Pyridazinyl]Butanoic Acid

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Properties Simple | Detailed

Formula C21H19N4O3++
IUPAC Name 4-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-8-ium-1-id-3-yl)pyridazin-1-yl]butanoic acid
Molecular Mass 375.401 g·mol−1
Heat of Formation -16.1 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 438.91 Å 3
Surface Area 365.03 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 1(6h)-pyridazinebutanoic acid, 6-oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-
  • 4-[6-keto-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]butyric acid
  • 4-[6-oxo-3-(2-phenyl-3-pyrazolo[1,5-a]pyridinyl)-1-pyridazinyl]butanoic acid
  • 4-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]butanoic acid
  • 6-oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-1(6h)-pyridazineboutanoic acid
  • 6-oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-1(6h)-pyridazinebutyric acid
  • fk 838
  • fk-838
CAS Number(s)
  • 131185-37-0
InChIKey FKJPZJACCBMNKZ-UHFFFAOYSA-N
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