(3R)-1-[3-[[[3-Amino-6-[2-fluoro-5-(1-methylethoxy)phenyl]-2-pyrazinyl]carbon...
C25H27FN6O4
2041073-22-5 Copyright (C) 2024 ACS
 36 39  0  0  1  0  0  0  0  0999 V2000
    7.7002    4.0012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102    2.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    6.6685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8603    9.3360    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4804    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2504    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2504    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    4.0012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    5.3348    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6201    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5503    5.3348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3203    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102    8.0023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5503    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8603    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6303    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6303    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1704    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1704    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
 22  4  1  6  0  0  0
  7 27  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  2  0  0  0  0
 35 36  1  0  0  0  0
M  END
> <cas.rn>
2041073-22-5

> <cas.index.name>
3-Piperidinecarboxylic acid, 1-[3-[[[3-amino-6-[2-fluoro-5-(1-methylethoxy)phenyl]-2-pyrazinyl]carbonyl]amino]-4-pyridinyl]-, (3R)-

> <molecular.formula>
C25H27FN6O4

> <molecular.weight>
494.52

> <boiling.point.predicted>
669.652±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.367±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
2.816±0.70    Most Acidic Temp: 25 °C

$$$$
