8-Amino-N-[1-(cyclopropylcarbonyl)-3-azetidinyl]-2-(3-fluorophenyl)-1,7-napht...
C22H20FN5O2
1449277-10-4 Copyright (C) 2024 ACS
 30 34  0  0  0  0  0  0  0  0999 V2000
    9.3360    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    6.9302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    9.2402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2232    4.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2232    2.7611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    6.1601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    9.2402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4908    6.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4019    4.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8896    5.0712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5569    5.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0969    5.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3269    6.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 10  1  0  0  0  0
  2 24  1  0  0  0  0
  4 13  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  2  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <cas.rn>
1449277-10-4

> <cas.index.name>
1,7-Naphthyridine-5-carboxamide, 8-amino-N-[1-(cyclopropylcarbonyl)-3-azetidinyl]-2-(3-fluorophenyl)-

> <molecular.formula>
C22H20FN5O2

> <molecular.weight>
405.43

> <boiling.point.predicted>
734.507±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.456±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
11.602±0.20    Most Acidic Temp: 25 °C

$$$$
