1,8-Naphthyridine-3-carboxamide, 7-[(3R,4R)-3,4-dihydroxy-1-pyrrolidinyl]-6-f...
C23H17F9N4O4
2206665-50-9 Copyright (C) 2024 ACS
 40 43  0  0  1  0  0  0  0  0999 V2000
    6.6363   10.9589    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690    6.3388    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375    8.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9711    7.8788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375   10.1889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3048    8.6488    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6386    7.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3050   10.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9723    7.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4087    9.2125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.8686    6.5451    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.3060    6.3388    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.7423    8.4425    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2023    5.7751    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375    5.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6363    1.7187    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3015   10.9589    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6752    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6363    7.8788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6363    6.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9700    8.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9700    5.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3026    5.5688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3038    7.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3038    6.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9700    4.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3026    4.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6363    3.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3026    8.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3026   10.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690    7.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690   10.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6352    8.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6352   10.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690    3.2587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079    1.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5620    3.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3016    1.4070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5316    2.7406    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 25  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 15 26  2  0  0  0  0
 16 29  1  0  0  0  0
 17 35  1  0  0  0  0
 39 18  1  1  0  0  0
 40 19  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 30  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
 28 36  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <cas.rn>
2206665-50-9

> <cas.index.name>
1,8-Naphthyridine-3-carboxamide, 7-[(3R,4R)-3,4-dihydroxy-1-pyrrolidinyl]-6-fluoro-1,4-dihydro-4-oxo-N-[(1S)-2,2,3,3,3-pentafluoro-1-methylpropyl]-1-(2,4,6-trifluorophenyl)-

> <molecular.formula>
C23H17F9N4O4

> <molecular.weight>
584.39

> <boiling.point.predicted>
673.179±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.645±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.097±0.20    Most Acidic Temp: 25 °C

$$$$
