
 CHEMBL411437

 49 52  0  0  0  0  0  0  0  0999 V2000
    0.4588    1.0788    0.4789 C   0  0  0  0  0
   -1.0009    0.5920    0.6117 C   0  0  0  0  0
   -1.3518   -0.3416   -0.4657 N   0  0  0  0  0
   -0.3884   -1.4214   -0.7229 C   0  0  0  0  0
    1.0697   -0.8895   -0.7445 C   0  0  0  0  0
    1.4665   -0.0055    0.3822 N   0  0  0  0  0
    1.5714   -0.7236    1.6608 C   0  0  0  0  0
    2.7941   -1.5724    1.6854 C   0  0  0  0  0
    2.8978   -2.9495    1.6866 C   0  0  0  0  0
    1.9677   -4.0300    1.6363 C   0  0  0  0  0
    2.4195   -5.2981    1.6531 C   0  0  0  0  0
    3.8383   -5.5982    1.7290 C   0  0  0  0  0
    4.7141   -4.5813    1.7810 C   0  0  0  0  0
    4.2594   -3.2616    1.7581 N   0  0  0  0  0
    5.0154   -2.1364    1.8081 N   0  0  0  0  0
    4.1353   -1.1365    1.7547 C   0  0  0  0  0
   -2.2660    0.0151   -1.4540 C   0  0  0  0  0
   -2.3378    1.3453   -1.9103 C   0  0  0  0  0
   -3.2934    1.7606   -2.8396 C   0  0  0  0  0
   -4.2179    0.8511   -3.3298 C   0  0  0  0  0
   -4.1660   -0.4792   -2.9161 C   0  0  0  0  0
   -3.1819   -0.9137   -2.0139 C   0  0  0  0  0
   -3.1480   -2.2068   -1.5395 O   0  0  0  0  0
   -3.4505   -3.2544   -2.4646 C   0  0  0  0  0
   -2.2334   -3.6465   -3.2837 C   0  0  0  0  0
   -2.5766   -4.6358   -4.1516 F   0  0  0  0  0
    0.5482    1.7019   -0.4206 H   0  0  0  0  0
    0.7025    1.7407    1.3188 H   0  0  0  0  0
   -1.6790    1.4520    0.6599 H   0  0  0  0  0
   -1.1299    0.0703    1.5678 H   0  0  0  0  0
   -0.4978   -2.1810    0.0591 H   0  0  0  0  0
   -0.5714   -1.9181   -1.6809 H   0  0  0  0  0
    1.7619   -1.7342   -0.8384 H   0  0  0  0  0
    1.2035   -0.3122   -1.6696 H   0  0  0  0  0
    0.6806   -1.3202    1.8850 H   0  0  0  0  0
    1.6710    0.0006    2.4808 H   0  0  0  0  0
    0.9036   -3.8244    1.5838 H   0  0  0  0  0
    1.7270   -6.1337    1.6136 H   0  0  0  0  0
    4.1610   -6.6329    1.7452 H   0  0  0  0  0
    5.7857   -4.7125    1.8426 H   0  0  0  0  0
    4.5016   -0.1174    1.7746 H   0  0  0  0  0
   -1.6322    2.0878   -1.5488 H   0  0  0  0  0
   -3.3235    2.7986   -3.1598 H   0  0  0  0  0
   -4.9905    1.1773   -4.0211 H   0  0  0  0  0
   -4.9429   -1.1429   -3.2786 H   0  0  0  0  0
   -4.3047   -3.0469   -3.1145 H   0  0  0  0  0
   -3.7598   -4.1219   -1.8702 H   0  0  0  0  0
   -1.4311   -4.0197   -2.6399 H   0  0  0  0  0
   -1.8400   -2.8043   -3.8601 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
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  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
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 11 12  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL411437

>  <PubChem CID>
24823922

>  <Formula>
C20H23FN4O

>  <Molecular Weight>
354.429000

>  <IUPAC Name>
3-[[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=C3C=CC=CN3N=C2)C4=CC=CC=C4OCCF

>  <Isomeric SMILES>
C1CN(CCN1CC2=C3C=CC=CN3N=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)16-17-15-22-25-9-4-3-5-18(17)25/h1-7,9,15H,8,10-14,16H2

>  <InChI Key>
RGBHOSATWXCXSR-UHFFFAOYSA-N

