
 CHEMBL405260

 49 52  0  0  0  0  0  0  0  0999 V2000
    0.7448    1.2781    0.4792 C   0  0  0  0  0
   -0.7353    0.9261    0.7602 C   0  0  0  0  0
   -1.2109   -0.1505   -0.1171 N   0  0  0  0  0
   -0.3306   -1.3301   -0.1899 C   0  0  0  0  0
    1.1394   -0.9087   -0.4323 C   0  0  0  0  0
    1.6839    0.1287    0.4811 N   0  0  0  0  0
    1.8724   -0.3788    1.8569 C   0  0  0  0  0
    2.9933   -1.3802    1.9416 C   0  0  0  0  0
    2.9169   -2.3951    2.8141 N   0  0  0  0  0
    4.0696   -3.0930    2.6524 N   0  0  0  0  0
    4.4676   -4.2351    3.3503 C   0  0  0  0  0
    5.6411   -4.8260    3.0648 C   0  0  0  0  0
    6.4730   -4.2581    2.0162 C   0  0  0  0  0
    6.1020   -3.1526    1.3419 C   0  0  0  0  0
    4.8654   -2.5217    1.6581 C   0  0  0  0  0
    4.2025   -1.4081    1.2075 C   0  0  0  0  0
   -2.0611    0.1006   -1.1945 C   0  0  0  0  0
   -2.0332    1.3316   -1.8732 C   0  0  0  0  0
   -2.8952    1.6082   -2.9384 C   0  0  0  0  0
   -3.8256    0.6607   -3.3426 C   0  0  0  0  0
   -3.8860   -0.5700   -2.6919 C   0  0  0  0  0
   -3.0037   -0.8641   -1.6415 C   0  0  0  0  0
   -3.0529   -2.0513   -0.9451 O   0  0  0  0  0
   -3.6007   -3.1822   -1.6268 C   0  0  0  0  0
   -3.0684   -4.4479   -0.9718 C   0  0  0  0  0
   -3.6893   -4.6387    0.2231 F   0  0  0  0  0
    0.8143    1.7583   -0.5053 H   0  0  0  0  0
    1.0811    2.0370    1.1968 H   0  0  0  0  0
   -1.3584    1.8250    0.6894 H   0  0  0  0  0
   -0.8363    0.5854    1.7978 H   0  0  0  0  0
   -0.4134   -1.8885    0.7495 H   0  0  0  0  0
   -0.6097   -2.0210   -0.9932 H   0  0  0  0  0
    1.7730   -1.8026   -0.4299 H   0  0  0  0  0
    1.2153   -0.5104   -1.4535 H   0  0  0  0  0
    0.9528   -0.8120    2.2668 H   0  0  0  0  0
    2.1522    0.4553    2.5146 H   0  0  0  0  0
    3.7857   -4.5889    4.1102 H   0  0  0  0  0
    5.9806   -5.7112    3.5905 H   0  0  0  0  0
    7.4101   -4.7573    1.7883 H   0  0  0  0  0
    6.7294   -2.7384    0.5597 H   0  0  0  0  0
    4.5209   -0.7149    0.4421 H   0  0  0  0  0
   -1.3175    2.0988   -1.5953 H   0  0  0  0  0
   -2.8409    2.5697   -3.4425 H   0  0  0  0  0
   -4.5117    0.8821   -4.1557 H   0  0  0  0  0
   -4.6489   -1.2745   -3.0048 H   0  0  0  0  0
   -3.2900   -3.1873   -2.6778 H   0  0  0  0  0
   -4.6932   -3.1539   -1.5487 H   0  0  0  0  0
   -1.9922   -4.3859   -0.7845 H   0  0  0  0  0
   -3.2829   -5.3226   -1.5912 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  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 37  1  0  0  0
 12 13  1  0  0  0
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 13 14  2  0  0  0
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 15 16  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL405260

>  <PubChem CID>
24824062

>  <Formula>
C20H23FN4O

>  <Molecular Weight>
354.429000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CC2=NN3C=CC=CC3=C2)C4=CC=CC=C4OCCF

>  <Isomeric SMILES>
C1CN(CCN1CC2=NN3C=CC=CC3=C2)C4=CC=CC=C4OCCF

>  <InChI Std. ID>
InChI=1S/C20H23FN4O/c21-8-14-26-20-7-2-1-6-19(20)24-12-10-23(11-13-24)16-17-15-18-5-3-4-9-25(18)22-17/h1-7,9,15H,8,10-14,16H2

>  <InChI Key>
GACKYORUNWZVHC-UHFFFAOYSA-N

