7-[(3S)-3-Amino-1-Pyrrolidinyl]-1-Cyclopropyl-6-Fluoro-4-Oxo-1,4-Dihydro-1,8-Naphthyridine-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H17FN4O3
IUPAC Name 7-[(3s)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Molecular Mass 332.330 g·mol−1
Heat of Formation -389.9 ± 16.7 kJ·mol−1
Dipole Moment 8.08 ± 1.08 D
Volume 372.82 Å 3
Surface Area 328.93 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 1,8-naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, (s)-
  • 1,8-naphthyridine-3-carboxylic acid, 7-[(3s)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
  • 127967-03-7 (hydrochloride)
  • 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  • 7-[(3s)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  • 7-[(3s)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-keto-1,8-naphthyridine-3-carboxylic acid
  • 7-[(3s)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  • pd 131628
  • pd131628 (hydrochloride)
  • pd131628-0002b
CAS Number(s)
  • 127967-03-7
InChIKey MUKSDTOOLRNSIO-QMMMGPOBSA-N
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