N-(2,6-Dichloro-4-Pyridinyl)-2-(4-Isopropyl-1,3-Dimethyl-1H-Pyrazolo[3,4-B]Pyridin-6-Yl)Hydrazinecarboxamide

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Properties Simple | Detailed

Formula C17H19Cl2N7O
IUPAC Name 1-(2,6-dichloro-4-pyridyl)-3-[(4-isopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridin-1-ium-2-id-6-yl)amino]urea
Molecular Mass 408.285 g·mol−1
Heat of Formation 207.1 ± 16.7 kJ·mol−1
Dipole Moment 7.17 ± 1.08 D
Volume 459.23 Å 3
Surface Area 402.01 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(1,3-dimethyl-4-isopropyl)-1h-pyrazolo[3,4-b]pyridin-6-yl)-4-(3,5-dichloro-4-pyridinyl)-semicarbazide
  • 3-(2,6-dichloro-4-pyridyl)-1-[(4-isopropyl-1,3-dimethyl-6-pyrazolo[4,5-e]pyridinyl)amino]urea
  • 3-(2,6-dichloro-4-pyridyl)-1-[(4-isopropyl-1,3-dimethyl-pyrazolo[4,5-e]pyridin-6-yl)amino]urea
  • 3-(2,6-dichloropyridin-4-yl)-1-[(1,3-dimethyl-4-propan-2-yl-pyrazolo[4,5-e]pyridin-6-yl)amino]urea
  • 3-(2,6-dichloropyridin-4-yl)-1-[(1,3-dimethyl-4-propan-2-ylpyrazolo[4,5-e]pyridin-6-yl)amino]urea
  • jte-013
  • s1p<sub>2</sub> receptor antagonist, jte-013
InChIKey RNSLRQNDXRSASX-UHFFFAOYSA-N
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