
 CHEMBL272873

 49 52  0  0  0  0  0  0  0  0999 V2000
    0.8712    1.1289   -0.3017 C   0  0  0  0  0
   -0.6706    1.0370   -0.4229 C   0  0  0  0  0
   -1.0920   -0.2243   -1.0793 N   0  0  0  0  0
   -0.4320   -1.4304   -0.5377 C   0  0  0  0  0
    1.0992   -1.2424   -0.4427 C   0  0  0  0  0
    1.5379   -0.0432    0.3117 N   0  0  0  0  0
    1.2438   -0.1230    1.7507 C   0  0  0  0  0
    2.1204   -1.1378    2.4027 C   0  0  0  0  0
    1.8047   -2.3958    2.8802 C   0  0  0  0  0
    0.6190   -3.1874    2.9375 C   0  0  0  0  0
    0.6735   -4.4359    3.4397 C   0  0  0  0  0
    1.9138   -4.9989    3.9424 C   0  0  0  0  0
    3.0258   -4.2477    3.9088 C   0  0  0  0  0
    2.9848   -2.9537    3.3853 N   0  0  0  0  0
    4.0180   -2.0815    3.2844 N   0  0  0  0  0
    3.4983   -1.0112    2.6836 C   0  0  0  0  0
   -2.4728   -0.2968   -1.3371 C   0  0  0  0  0
   -3.0921    0.6870   -2.1270 C   0  0  0  0  0
   -4.4664    0.6622   -2.3954 C   0  0  0  0  0
   -5.2612   -0.3475   -1.8677 C   0  0  0  0  0
   -4.6671   -1.3701   -1.1378 C   0  0  0  0  0
   -3.2904   -1.3397   -0.8758 C   0  0  0  0  0
   -6.5913   -0.3170   -2.1783 O   0  0  0  0  0
   -7.4714   -0.4954   -1.0628 C   0  0  0  0  0
   -7.8227    0.8418   -0.4343 C   0  0  0  0  0
   -8.6569    0.6346    0.6195 F   0  0  0  0  0
    1.2891    1.2599   -1.3091 H   0  0  0  0  0
    1.1406    2.0412    0.2448 H   0  0  0  0  0
   -1.0005    1.9128   -0.9929 H   0  0  0  0  0
   -1.1256    1.1032    0.5735 H   0  0  0  0  0
   -0.8295   -1.6673    0.4557 H   0  0  0  0  0
   -0.6253   -2.2877   -1.1943 H   0  0  0  0  0
    1.5543   -2.1511   -0.0337 H   0  0  0  0  0
    1.5012   -1.1601   -1.4617 H   0  0  0  0  0
    0.1888   -0.3292    1.9597 H   0  0  0  0  0
    1.4654    0.8446    2.2208 H   0  0  0  0  0
   -0.3194   -2.7817    2.5761 H   0  0  0  0  0
   -0.2178   -5.0550    3.4877 H   0  0  0  0  0
    1.9166   -6.0082    4.3388 H   0  0  0  0  0
    3.9908   -4.5831    4.2664 H   0  0  0  0  0
    4.1449   -0.1692    2.4685 H   0  0  0  0  0
   -2.4956    1.4771   -2.5777 H   0  0  0  0  0
   -4.9071    1.4332   -3.0208 H   0  0  0  0  0
   -5.2463   -2.2164   -0.7812 H   0  0  0  0  0
   -2.8839   -2.1575   -0.2901 H   0  0  0  0  0
   -7.0914   -1.1843   -0.3009 H   0  0  0  0  0
   -8.3880   -0.9593   -1.4452 H   0  0  0  0  0
   -8.3269    1.4953   -1.1521 H   0  0  0  0  0
   -6.9331    1.3636   -0.0708 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 16  1  0  0  0
  8  9  2  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 12 13  2  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
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 14 15  1  0  0  0
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 19 20  2  0  0  0
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 20 23  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL272873

>  <PubChem CID>
10247561

>  <Formula>
C20H23FN4O

>  <Molecular Weight>
354.429000

>  <IUPAC Name>
3-[[4-[4-(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=C3C=CC=CN3N=C2)C4=CC=C(C=C4)OCCF

>  <Isomeric SMILES>
C1CN(CCN1CC2=C3C=CC=CN3N=C2)C4=CC=C(C=C4)OCCF

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

>  <InChI Key>
DCOWEWUTRNVNCR-UHFFFAOYSA-N

