Riociguat

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Formula C20H19FN8O2
IUPAC Name methyl n-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-ium-2-id-3-yl]pyrimidin-5-yl]-n-methyl-carbamate
Molecular Mass 422.416 g·mol−1
Heat of Formation 35.6 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 468.46 Å 3
Surface Area 413.5 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • methyl n-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-n-methyl-carbamate
  • methyl n-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-n-methylcarbamate
  • n-[4,6-diamino-2-[1-(2-fluorobenzyl)pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-n-methyl-carbamic acid methyl ester
  • n-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-3-pyrazolo[5,4-b]pyridinyl]-5-pyrimidinyl]-n-methylcarbamic acid methyl ester
InChIKey WXXSNCNJFUAIDG-UHFFFAOYSA-N
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