
 CHEMBL272395

 41 44  0  0  0  0  0  0  0  0999 V2000
    0.8157    0.1470   -2.9374 C   0  0  0  0  0
   -0.5491    0.0927   -3.6722 C   0  0  0  0  0
   -1.0738   -1.2865   -3.7385 N   0  0  0  0  0
   -1.0299   -2.0151   -2.4503 C   0  0  0  0  0
    0.3600   -1.8965   -1.7903 C   0  0  0  0  0
    0.8526   -0.5079   -1.6079 N   0  0  0  0  0
    0.0637    0.2661   -0.6350 C   0  0  0  0  0
    0.1613   -0.3216    0.7301 C   0  0  0  0  0
   -0.8502   -0.8047    1.5375 C   0  0  0  0  0
   -2.2653   -0.9391    1.4103 C   0  0  0  0  0
   -2.9766   -1.4810    2.4171 C   0  0  0  0  0
   -2.3378   -1.9353    3.6401 C   0  0  0  0  0
   -1.0066   -1.8064    3.7618 C   0  0  0  0  0
   -0.2573   -1.2458    2.7253 N   0  0  0  0  0
    1.0845   -1.0455    2.7025 N   0  0  0  0  0
    1.3245   -0.5015    1.5092 C   0  0  0  0  0
   -2.3311   -1.3881   -4.3694 C   0  0  0  0  0
   -3.3486   -2.0019   -3.7275 N   0  0  0  0  0
   -4.5430   -2.1070   -4.3493 C   0  0  0  0  0
   -4.7941   -1.6204   -5.6190 C   0  0  0  0  0
   -3.7508   -1.0018   -6.2897 C   0  0  0  0  0
   -2.5104   -0.8921   -5.6628 C   0  0  0  0  0
   -5.9458   -2.9719   -3.4092 Br  0  0  0  0  0
    1.5695   -0.3399   -3.5710 H   0  0  0  0  0
    1.1403    1.1913   -2.8490 H   0  0  0  0  0
   -0.3879    0.4977   -4.6777 H   0  0  0  0  0
   -1.2699    0.7468   -3.1654 H   0  0  0  0  0
   -1.7907   -1.6325   -1.7585 H   0  0  0  0  0
   -1.2301   -3.0811   -2.6190 H   0  0  0  0  0
    0.3616   -2.4415   -0.8396 H   0  0  0  0  0
    1.0891   -2.4263   -2.4188 H   0  0  0  0  0
   -0.9858    0.3639   -0.9318 H   0  0  0  0  0
    0.4653    1.2866   -0.5794 H   0  0  0  0  0
   -2.7617   -0.6080    0.5036 H   0  0  0  0  0
   -4.0542   -1.5929    2.3364 H   0  0  0  0  0
   -2.9467   -2.3676    4.4261 H   0  0  0  0  0
   -0.4500   -2.1168    4.6350 H   0  0  0  0  0
    2.3451   -0.2568    1.2418 H   0  0  0  0  0
   -5.7676   -1.7251   -6.0839 H   0  0  0  0  0
   -3.8920   -0.6180   -7.2957 H   0  0  0  0  0
   -1.6839   -0.4440   -6.2036 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>
CHEMBL272395

>  <PubChem CID>
24823921

>  <Formula>
C17H18BrN5

>  <Molecular Weight>
372.270000

>  <IUPAC Name>
3-[[4-(6-bromopyridin-2-yl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CC2=C3C=CC=CN3N=C2)C4=NC(=CC=C4)Br

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

>  <InChI Std. ID>
InChI=1S/C17H18BrN5/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>
RMXWGHDSQFWKHG-UHFFFAOYSA-N

