8-(2,6-Difluorophenyl)-2-[(1,3-Dihydroxy-2-Propanyl)Amino]-4-(4-Fluoro-2-Methylphenyl)Pyrido[2,3-D]Pyrimidin-7(8H)-One

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Properties Simple | Detailed

Formula C23H19F3N4O3
IUPAC Name 8-(2,6-difluorobenzene-4,5-diid-1-yl)-4-(4-fluoro-2-methyl-phenyl)-2-[[(2r)-oxiran-2-yl]amino]pyrido[2,3-d]pyrimidine-1,3-diium-4a-id-7-one; formaldehyde
Molecular Mass 456.417 g·mol−1
Heat of Formation -751.3 ± 16.7 kJ·mol−1
Dipole Moment 1.43 ± 1.08 D
Volume 508.55 Å 3
Surface Area 416.23 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
Synonyms
  • 8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methyl-phenyl)pyrido[6,5-d]pyrimidin-7-one
  • 8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[6,5-d]pyrimidin-7-one
  • 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methyl-phenyl)-2-[(2-hydroxy-1-methylol-ethyl)amino]pyrido[6,5-d]pyrimidin-7-one
  • 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methyl-phenyl)-2-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]pyrido[6,5-d]pyrimidin-7-one
  • 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-7-pyrido[6,5-d]pyrimidinone
InChIKey ORVNHOYNEHYKJG-UHFFFAOYSA-N
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