
 LAS101057

 39 42  0  0  0  0  0  0  0  0999 V2000
    0.5267   -2.4181    0.0036 C   0  0  0  0  0
    1.6974   -2.3490   -0.9349 C   0  0  0  0  0
    1.8331   -1.8178    0.4737 C   0  0  0  0  0
    2.6625   -2.5627    1.4803 C   0  0  0  0  0
    2.7309   -3.7806    1.4071 O   0  0  0  0  0
    3.2527   -1.7350    2.4113 N   0  0  0  0  0
    4.0493   -2.1881    3.4710 C   0  0  0  0  0
    4.5739   -1.2788    4.3746 C   0  0  0  0  0
    5.3243   -1.6408    5.4424 N   0  0  0  0  0
    5.5753   -2.9737    5.6014 C   0  0  0  0  0
    5.0613   -3.9035    4.6817 C   0  0  0  0  0
    4.2955   -3.4961    3.6300 N   0  0  0  0  0
    5.2216   -5.3655    4.7174 C   0  0  0  0  0
    6.4424   -6.0039    4.9231 C   0  0  0  0  0
    6.6155   -7.3507    4.9578 N   0  0  0  0  0
    5.5227   -8.1109    4.7347 C   0  0  0  0  0
    4.2651   -7.5919    4.4916 C   0  0  0  0  0
    4.1208   -6.2078    4.4836 C   0  0  0  0  0
    6.3380   -3.2863    6.8227 C   0  0  0  0  0
    7.4856   -2.5581    7.1605 C   0  0  0  0  0
    8.1600   -2.8434    8.3367 C   0  0  0  0  0
    7.7865   -3.8124    9.2019 N   0  0  0  0  0
    6.6820   -4.5130    8.8731 C   0  0  0  0  0
    5.9325   -4.2823    7.7265 C   0  0  0  0  0
    7.9643   -1.5955    6.3574 F   0  0  0  0  0
   -0.3080   -1.7513   -0.1713 H   0  0  0  0  0
    0.2437   -3.3957    0.3803 H   0  0  0  0  0
    1.6560   -1.6354   -1.7484 H   0  0  0  0  0
    2.1983   -3.2785   -1.1859 H   0  0  0  0  0
    1.8489   -0.7369    0.5634 H   0  0  0  0  0
    3.0909   -0.7434    2.3429 H   0  0  0  0  0
    4.4016   -0.2116    4.2825 H   0  0  0  0  0
    7.3628   -5.4414    5.0607 H   0  0  0  0  0
    5.6915   -9.1849    4.7457 H   0  0  0  0  0
    3.4198   -8.2417    4.2971 H   0  0  0  0  0
    3.1439   -5.7781    4.2661 H   0  0  0  0  0
    9.0451   -2.2803    8.6137 H   0  0  0  0  0
    6.3982   -5.2891    9.5798 H   0  0  0  0  0
    5.0406   -4.8787    7.5561 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 19  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 36  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 25  1  0  0  0
 21 22  2  0  0  0
 21 37  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 38  1  0  0  0
 24 39  1  0  0  0
M  END

>  <Chemical Name>
LAS101057

>  <PubChem CID>
16071896

>  <Formula>
C18H14FN5O

>  <Molecular Weight>
335.342000

>  <IUPAC Name>
N-[5-(3-fluoropyridin-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1C(=O)NC2=CN=C(C(=N2)C3=CN=CC=C3)C4=C(C=NC=C4)F

>  <Isomeric SMILES>
C1CC1C(=O)NC2=CN=C(C(=N2)C3=CN=CC=C3)C4=C(C=NC=C4)F

>  <InChI Std. ID>
InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)

>  <InChI Key>
XUYURJQIMYCWBB-UHFFFAOYSA-N

