(1-{6-[6-(Isopropylamino)-1H-Indazol-1-Yl]-2-Pyrazinyl}-1H-Pyrrol-3-Yl)Acetic Acid

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Properties Simple | Detailed

Formula C20H20N6O2
IUPAC Name 2-[1-[6-[6-(isopropylamino)-7h-indazol-1-ium-7-id-1-yl]pyrazin-2-yl]-2h-pyrrol-1-ium-2-ylium-3-yl]acetic acid
Molecular Mass 376.412 g·mol−1
Heat of Formation 161.7 ± 16.7 kJ·mol−1
Dipole Moment 7.03 ± 1.08 D
Volume 441.06 Å 3
Surface Area 395.44 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 1.91 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[1-[6-[6-(isopropylamino)-1-indazolyl]-2-pyrazinyl]-3-pyrrolyl]acetic acid
  • 2-[1-[6-[6-(isopropylamino)indazol-1-yl]pyrazin-2-yl]pyrrol-3-yl]acetic acid
  • 2-[1-[6-[6-(propan-2-ylamino)indazol-1-yl]pyrazin-2-yl]pyrrol-3-yl]acetic acid
  • 2-[1-[6-[6-(propan-2-ylamino)indazol-1-yl]pyrazin-2-yl]pyrrol-3-yl]ethanoic acid
InChIKey BBYRUZKRFAIQSR-UHFFFAOYSA-N
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