
 CHEMBL270056

 41 44  0  0  0  0  0  0  0  0999 V2000
    0.7635    1.2023   -2.1795 C   0  0  0  0  0
   -0.3999    1.2712   -3.2027 C   0  0  0  0  0
   -0.5494    0.0010   -3.9440 N   0  0  0  0  0
   -0.5379   -1.2065   -3.0878 C   0  0  0  0  0
    0.6521   -1.1810   -2.1061 C   0  0  0  0  0
    0.7413    0.0379   -1.2628 N   0  0  0  0  0
   -0.3670    0.1619   -0.3001 C   0  0  0  0  0
   -0.3511   -0.9587    0.6810 C   0  0  0  0  0
   -1.3252   -1.9068    0.9293 C   0  0  0  0  0
   -2.6248   -2.1793    0.4069 C   0  0  0  0  0
   -3.3160   -3.2423    0.8615 C   0  0  0  0  0
   -2.7714   -4.1253    1.8757 C   0  0  0  0  0
   -1.5538   -3.8628    2.3782 C   0  0  0  0  0
   -0.8283   -2.7607    1.9194 N   0  0  0  0  0
    0.4030   -2.3647    2.3308 N   0  0  0  0  0
    0.6815   -1.2974    1.5820 C   0  0  0  0  0
   -1.6312    0.0032   -4.8503 C   0  0  0  0  0
   -2.5741   -0.9594   -4.7638 N   0  0  0  0  0
   -3.5913   -0.9410   -5.6484 C   0  0  0  0  0
   -3.7375    0.0008   -6.6477 C   0  0  0  0  0
   -2.7664    0.9822   -6.7525 C   0  0  0  0  0
   -1.7032    0.9780   -5.8508 C   0  0  0  0  0
   -4.5211   -1.9013   -5.5388 F   0  0  0  0  0
    1.7108    1.1721   -2.7344 H   0  0  0  0  0
    0.7950    2.1335   -1.6006 H   0  0  0  0  0
   -0.1761    2.0965   -3.8880 H   0  0  0  0  0
   -1.3350    1.5178   -2.6836 H   0  0  0  0  0
   -1.4716   -1.2929   -2.5181 H   0  0  0  0  0
   -0.4381   -2.1033   -3.7128 H   0  0  0  0  0
    0.6366   -2.0861   -1.4884 H   0  0  0  0  0
    1.5829   -1.2526   -2.6851 H   0  0  0  0  0
   -1.3430    0.2224   -0.7927 H   0  0  0  0  0
   -0.2475    1.0950    0.2660 H   0  0  0  0  0
   -3.0499   -1.5320   -0.3535 H   0  0  0  0  0
   -4.3063   -3.4650    0.4737 H   0  0  0  0  0
   -3.3563   -4.9766    2.2076 H   0  0  0  0  0
   -1.0719   -4.4646    3.1354 H   0  0  0  0  0
    1.6371   -0.8037    1.7098 H   0  0  0  0  0
   -4.5821   -0.0463   -7.3232 H   0  0  0  0  0
   -2.8248    1.7369   -7.5308 H   0  0  0  0  0
   -0.9205    1.7220   -5.9533 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 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 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 13  2  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 15  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
 20 21  1  0  0  0
 20 39  1  0  0  0
 21 22  2  0  0  0
 21 40  1  0  0  0
 22 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL270056

>  <PubChem CID>
24823920

>  <Formula>
C17H18FN5

>  <Molecular Weight>
311.364000

>  <IUPAC Name>
3-[[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=C3C=CC=CN3N=C2)C4=NC(=CC=C4)F

>  <Isomeric SMILES>
C1CN(CCN1CC2=C3C=CC=CN3N=C2)C4=NC(=CC=C4)F

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

>  <InChI Key>
PWOUQMPSBBVTMJ-UHFFFAOYSA-N

