
 FTIDC

 49 51  0  0  0  0  0  0  0  0999 V2000
    3.4234   -2.2056   -1.6071 C   0  0  0  0  0
    1.9629   -1.9668   -1.5529 C   0  0  0  0  0
    1.2707   -0.8269   -1.1690 C   0  0  0  0  0
   -0.0594   -0.9987   -1.3720 N   0  0  0  0  0
   -0.2442   -2.2134   -1.8460 N   0  0  0  0  0
    0.9535   -2.8641   -1.9302 N   0  0  0  0  0
    0.9260   -4.2245   -2.3558 C   0  0  0  0  0
    2.0277   -5.0592   -2.4459 C   0  0  0  0  0
    1.9739   -6.3558   -2.8476 N   0  0  0  0  0
    0.7682   -6.8625   -3.1661 C   0  0  0  0  0
   -0.3983   -6.1309   -3.1030 C   0  0  0  0  0
   -0.3156   -4.8006   -2.6964 C   0  0  0  0  0
    3.2532   -4.6549   -2.1049 F   0  0  0  0  0
    1.7433    0.4181   -0.6489 C   0  0  0  0  0
    2.8091    0.5918    0.1496 C   0  0  0  0  0
    3.2476    1.8976    0.7461 C   0  0  0  0  0
    2.4104    3.0415    0.3922 N   0  0  0  0  0
    1.6830    2.9130   -0.8785 C   0  0  0  0  0
    0.9026    1.6093   -1.0152 C   0  0  0  0  0
    2.6659    4.3619    0.7701 C   0  0  0  0  0
    2.1965    5.2855    0.0897 O   0  0  0  0  0
    3.4483    4.6643    1.8800 N   0  0  0  0  0
    3.8060    3.7501    2.9546 C   0  0  0  0  0
    3.7305    6.1017    2.1289 C   0  0  0  0  0
    2.9230    6.6454    3.3134 C   0  0  0  0  0
    5.2273    6.3741    2.2934 C   0  0  0  0  0
    3.7308   -2.9004   -0.8196 H   0  0  0  0  0
    3.9956   -1.2863   -1.4570 H   0  0  0  0  0
    3.7273   -2.5733   -2.5911 H   0  0  0  0  0
    0.7653   -7.9033   -3.4773 H   0  0  0  0  0
   -1.3524   -6.5790   -3.3599 H   0  0  0  0  0
   -1.2421   -4.2293   -2.6474 H   0  0  0  0  0
    3.3936   -0.2659    0.4695 H   0  0  0  0  0
    3.2043    1.7365    1.8212 H   0  0  0  0  0
    4.2785    2.1181    0.4498 H   0  0  0  0  0
    2.4261    3.0011   -1.6823 H   0  0  0  0  0
    0.9745    3.7388   -1.0081 H   0  0  0  0  0
    0.5443    1.5397   -2.0500 H   0  0  0  0  0
    0.0218    1.6401   -0.3612 H   0  0  0  0  0
    2.9290    3.1690    3.2488 H   0  0  0  0  0
    4.1575    4.2825    3.8415 H   0  0  0  0  0
    4.6279    3.1122    2.6219 H   0  0  0  0  0
    3.4230    6.6890    1.2566 H   0  0  0  0  0
    3.2600    6.2301    4.2686 H   0  0  0  0  0
    1.8601    6.4063    3.2034 H   0  0  0  0  0
    3.0216    7.7341    3.3795 H   0  0  0  0  0
    5.6494    5.8691    3.1671 H   0  0  0  0  0
    5.4119    7.4479    2.4073 H   0  0  0  0  0
    5.7769    6.0301    1.4109 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 24  1  0  0  0
 22 23  1  0  0  0
 23 40  1  0  0  0
 23 41  1  0  0  0
 23 42  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
 24 43  1  0  0  0
 25 44  1  0  0  0
 25 45  1  0  0  0
 25 46  1  0  0  0
 26 47  1  0  0  0
 26 48  1  0  0  0
 26 49  1  0  0  0
M  END

>  <Chemical Name>
FTIDC

>  <PubChem CID>
11245287

>  <Formula>
C18H23FN6O

>  <Molecular Weight>
358.421000

>  <IUPAC Name>
4-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]-N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(N=NN1C2=C(N=CC=C2)F)C3=CCN(CC3)C(=O)N(C)C(C)C

>  <Isomeric SMILES>
CC1=C(N=NN1C2=C(N=CC=C2)F)C3=CCN(CC3)C(=O)N(C)C(C)C

>  <InChI Std. ID>
InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3

>  <InChI Key>
CJTLKLBSIFQKNT-UHFFFAOYSA-N

