
 CHEMBL405292

 41 44  0  0  0  0  0  0  0  0999 V2000
    0.7548    1.0387   -0.3611 C   0  0  0  0  0
   -0.7911    1.0217   -0.4561 C   0  0  0  0  0
   -1.3075   -0.2053   -1.1084 N   0  0  0  0  0
   -0.6637   -1.4613   -0.6751 C   0  0  0  0  0
    0.8723   -1.3222   -0.6287 C   0  0  0  0  0
    1.3819   -0.1919    0.1794 N   0  0  0  0  0
    1.0758   -0.3338    1.6205 C   0  0  0  0  0
    1.6724   -1.5906    2.1912 C   0  0  0  0  0
    0.8761   -2.5544    2.6751 N   0  0  0  0  0
    1.7176   -3.5481    3.0598 N   0  0  0  0  0
    1.3657   -4.7751    3.6260 C   0  0  0  0  0
    2.3158   -5.6746    3.9324 C   0  0  0  0  0
    3.7054   -5.3425    3.6596 C   0  0  0  0  0
    4.0560   -4.1586    3.1213 C   0  0  0  0  0
    3.0461   -3.2072    2.8055 C   0  0  0  0  0
    3.0389   -1.9451    2.2628 C   0  0  0  0  0
   -2.7139   -0.2194   -1.1932 C   0  0  0  0  0
   -3.3904    0.9190   -0.9201 N   0  0  0  0  0
   -4.7366    0.9120   -1.0110 C   0  0  0  0  0
   -5.4878   -0.1872   -1.3689 C   0  0  0  0  0
   -4.8091   -1.3534   -1.6690 C   0  0  0  0  0
   -3.4152   -1.3640   -1.5919 C   0  0  0  0  0
   -5.3782    2.0561   -0.7297 F   0  0  0  0  0
    1.1614    1.2050   -1.3681 H   0  0  0  0  0
    1.0737    1.9083    0.2276 H   0  0  0  0  0
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   -1.0487   -1.7677    0.3052 H   0  0  0  0  0
   -0.8726   -2.2677   -1.3868 H   0  0  0  0  0
    1.3156   -2.2703   -0.3048 H   0  0  0  0  0
    1.2382   -1.1856   -1.6560 H   0  0  0  0  0
   -0.0021   -0.3173    1.8222 H   0  0  0  0  0
    1.5103    0.5162    2.1631 H   0  0  0  0  0
    0.3090   -4.9378    3.7896 H   0  0  0  0  0
    2.0768   -6.6358    4.3717 H   0  0  0  0  0
    4.4593   -6.0852    3.9034 H   0  0  0  0  0
    5.0963   -3.9235    2.9199 H   0  0  0  0  0
    3.8865   -1.3659    1.9277 H   0  0  0  0  0
   -6.5665   -0.1221   -1.4166 H   0  0  0  0  0
   -5.3475   -2.2469   -1.9676 H   0  0  0  0  0
   -2.9004   -2.2791   -1.8592 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 16  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
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 13 14  2  0  0  0
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 14 37  1  0  0  0
 15 16  2  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 23  1  0  0  0
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 21 22  2  0  0  0
 21 40  1  0  0  0
 22 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL405292

>  <PubChem CID>
24824060

>  <Formula>
C17H18FN5

>  <Molecular Weight>
311.364000

>  <IUPAC Name>
2-[[4-(6-fluoropyridin-2-yl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CC2=NN3C=CC=CC3=C2)C4=NC(=CC=C4)F

>  <Isomeric SMILES>
C1CN(CCN1CC2=NN3C=CC=CC3=C2)C4=NC(=CC=C4)F

>  <InChI Std. ID>
InChI=1S/C17H18FN5/c18-16-5-3-6-17(19-16)22-10-8-21(9-11-22)13-14-12-15-4-1-2-7-23(15)20-14/h1-7,12H,8-11,13H2

>  <InChI Key>
CECDNRUCUZFOLS-UHFFFAOYSA-N

