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

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Properties Simple | Detailed

Formula C22H22N6O2
IUPAC Name 2-[1-[6-[6-(cyclopentylamino)-7h-indazol-1-ium-7-id-1-yl]pyrazin-2-yl]-2h-pyrrol-1-ium-2-ylium-3-yl]acetic acid
Molecular Mass 402.449 g·mol−1
Heat of Formation 174.2 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 473.21 Å 3
Surface Area 419.52 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[1-[6-[6-(cyclopentylamino)-1-indazolyl]-2-pyrazinyl]-3-pyrrolyl]acetic acid
  • 2-[1-[6-[6-(cyclopentylamino)indazol-1-yl]pyrazin-2-yl]pyrrol-3-yl]acetic acid
  • 2-[1-[6-[6-(cyclopentylamino)indazol-1-yl]pyrazin-2-yl]pyrrol-3-yl]ethanoic acid
InChIKey YQTMYRNBXJDYDN-UHFFFAOYSA-N
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