
 FAUC 213

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.7777    1.1014   -0.3115 C   0  0  0  0  0
   -0.7692    1.1118   -0.2239 C   0  0  0  0  0
   -1.3228   -0.1355   -0.7918 N   0  0  0  0  0
   -0.7400   -1.3514   -0.1934 C   0  0  0  0  0
    0.8027   -1.3069   -0.3150 C   0  0  0  0  0
    1.4534   -0.0937    0.2452 N   0  0  0  0  0
    1.4319   -0.0794    1.7199 C   0  0  0  0  0
    2.3488   -1.1373    2.2709 C   0  0  0  0  0
    1.8742   -2.1121    3.0603 N   0  0  0  0  0
    2.9530   -2.8869    3.3514 N   0  0  0  0  0
    2.9764   -4.0366    4.1443 C   0  0  0  0  0
    4.1272   -4.7033    4.3343 C   0  0  0  0  0
    5.3372   -4.2065    3.6989 C   0  0  0  0  0
    5.3277   -3.0977    2.9345 C   0  0  0  0  0
    4.1065   -2.3921    2.7404 C   0  0  0  0  0
    3.7399   -1.2657    2.0483 C   0  0  0  0  0
   -2.6966   -0.1019   -1.0451 C   0  0  0  0  0
   -3.6258   -0.9232   -0.3913 C   0  0  0  0  0
   -4.9906   -0.8692   -0.7022 C   0  0  0  0  0
   -5.4444    0.0038   -1.6854 C   0  0  0  0  0
   -4.5468    0.8254   -2.3553 C   0  0  0  0  0
   -3.1873    0.7703   -2.0329 C   0  0  0  0  0
   -7.1180    0.0610   -2.0772 Cl  0  0  0  0  0
    1.0583    1.1701   -1.3711 H   0  0  0  0  0
    1.1758    2.0111    0.1546 H   0  0  0  0  0
   -1.1280    1.9955   -0.7645 H   0  0  0  0  0
   -1.0870    1.2157    0.8214 H   0  0  0  0  0
   -1.0322   -1.4439    0.8593 H   0  0  0  0  0
   -1.0960   -2.2420   -0.7254 H   0  0  0  0  0
    1.2285   -2.2192    0.1176 H   0  0  0  0  0
    1.0626   -1.3490   -1.3815 H   0  0  0  0  0
    0.4200   -0.1936    2.1250 H   0  0  0  0  0
    1.8101    0.8855    2.0827 H   0  0  0  0  0
    2.0309   -4.3351    4.5755 H   0  0  0  0  0
    4.1791   -5.5987    4.9438 H   0  0  0  0  0
    6.2572   -4.7612    3.8586 H   0  0  0  0  0
    6.2363   -2.7370    2.4628 H   0  0  0  0  0
    4.3696   -0.6280    1.4444 H   0  0  0  0  0
   -3.3097   -1.6127    0.3858 H   0  0  0  0  0
   -5.6877   -1.5139   -0.1739 H   0  0  0  0  0
   -4.8881    1.4993   -3.1353 H   0  0  0  0  0
   -2.4935    1.3950   -2.5911 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  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 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  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
 18 39  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 41  1  0  0  0
 22 42  1  0  0  0
M  END

>  <Chemical Name>
FAUC 213

>  <PubChem CID>
10336538

>  <Formula>
C18H19ClN4

>  <Molecular Weight>
326.828000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)14-16-13-18-3-1-2-8-23(18)20-16/h1-8,13H,9-12,14H2

>  <InChI Key>
DTRXURJDKOYCCD-UHFFFAOYSA-N

