1-(5-{2-[(1-Methyl-1H-Pyrazolo[4,3-D]Pyrimidin-7-Yl)Amino]Ethyl}-1,3-Thiazol-2-Yl)-3-[3-(Trifluoromethyl)Phenyl]Urea

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Formula C19H17F3N8OS
IUPAC Name 1-[5-[2-[(1-methylpyrazolo[4,3-d]pyrimidin-1-ium-7-yl)amino]ethyl]thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
Molecular Mass 462.451 g·mol−1
Heat of Formation -268.9 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 491.75 Å 3
Surface Area 440.19 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[5-[2-[(1-methyl-7-pyrazolo[5,4-e]pyrimidinyl)amino]ethyl]-2-thiazolyl]-3-[3-(trifluoromethyl)phenyl]urea
  • 1-[5-[2-[(1-methylpyrazolo[5,4-e]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
  • 1-[5-[2-[(1-methylpyrazolo[5,4-e]pyrimidin-7-yl)amino]ethyl]thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
InChIKey UOLCZAFAGDOUFX-UHFFFAOYSA-N
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