
 CHEMBL272853

 49 52  0  0  0  0  0  0  0  0999 V2000
    1.2390    1.3054   -0.1524 C   0  0  0  0  0
   -0.3042    1.3306   -0.3100 C   0  0  0  0  0
   -0.7883    0.1540   -1.0676 N   0  0  0  0  0
   -0.2408   -1.1336   -0.5898 C   0  0  0  0  0
    1.2997   -1.0566   -0.4956 C   0  0  0  0  0
    1.8169    0.0403    0.3652 N   0  0  0  0  0
    1.4616   -0.1373    1.7908 C   0  0  0  0  0
    2.0677   -1.3887    2.3610 C   0  0  0  0  0
    1.3622   -2.5306    2.3913 N   0  0  0  0  0
    2.2163   -3.4586    2.8908 N   0  0  0  0  0
    1.9775   -4.8254    3.0450 C   0  0  0  0  0
    2.9267   -5.6231    3.5599 C   0  0  0  0  0
    4.1918   -5.0315    3.9664 C   0  0  0  0  0
    4.4342   -3.7149    3.8200 C   0  0  0  0  0
    3.4336   -2.8775    3.2495 C   0  0  0  0  0
    3.3585   -1.5494    2.9115 C   0  0  0  0  0
   -2.1575    0.2072   -1.3695 C   0  0  0  0  0
   -3.0993   -0.7022   -0.8727 C   0  0  0  0  0
   -4.4513   -0.6151   -1.2265 C   0  0  0  0  0
   -4.8936    0.3689   -2.1071 C   0  0  0  0  0
   -3.9794    1.2939   -2.6000 C   0  0  0  0  0
   -2.6297    1.2070   -2.2352 C   0  0  0  0  0
   -6.2274    0.3293   -2.4035 O   0  0  0  0  0
   -6.6233    1.0044   -3.5981 C   0  0  0  0  0
   -8.0202    0.5453   -3.9744 C   0  0  0  0  0
   -8.3953    1.1509   -5.1323 F   0  0  0  0  0
    1.6876    1.4954   -1.1370 H   0  0  0  0  0
    1.5551    2.1450    0.4785 H   0  0  0  0  0
   -0.5654    2.2644   -0.8216 H   0  0  0  0  0
   -0.7808    1.3564    0.6777 H   0  0  0  0  0
   -0.6597   -1.3983    0.3874 H   0  0  0  0  0
   -0.5008   -1.9317   -1.2962 H   0  0  0  0  0
    1.7037   -2.0269   -0.1889 H   0  0  0  0  0
    1.7001   -0.9008   -1.5073 H   0  0  0  0  0
    0.3788   -0.1448    1.9620 H   0  0  0  0  0
    1.8585    0.7131    2.3608 H   0  0  0  0  0
    1.0083   -5.1778    2.7213 H   0  0  0  0  0
    2.7764   -6.6900    3.6848 H   0  0  0  0  0
    4.9422   -5.6891    4.3956 H   0  0  0  0  0
    5.3832   -3.2849    4.1246 H   0  0  0  0  0
    4.1280   -0.7983    3.0199 H   0  0  0  0  0
   -2.8102   -1.4924   -0.1872 H   0  0  0  0  0
   -5.1576   -1.3340   -0.8199 H   0  0  0  0  0
   -4.2763    2.0922   -3.2713 H   0  0  0  0  0
   -1.9290    1.9181   -2.6669 H   0  0  0  0  0
   -5.9461    0.7745   -4.4302 H   0  0  0  0  0
   -6.6296    2.0883   -3.4345 H   0  0  0  0  0
   -8.7460    0.7997   -3.1959 H   0  0  0  0  0
   -8.0529   -0.5390   -4.1226 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
 12 38  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 15 16  2  0  0  0
 16 41  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 44  1  0  0  0
 22 45  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 46  1  0  0  0
 24 47  1  0  0  0
 25 26  1  0  0  0
 25 48  1  0  0  0
 25 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL272853

>  <PubChem CID>
24824063

>  <Formula>
C20H23FN4O

>  <Molecular Weight>
354.429000

>  <IUPAC Name>
2-[[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=NN3C=CC=CC3=C2)C4=CC=C(C=C4)OCCF

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

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

>  <InChI Key>
MUMVCUPHGPDDKM-UHFFFAOYSA-N

