
 CHEMBL272396

 41 44  0  0  0  0  0  0  0  0999 V2000
    0.8097    1.0340   -0.4141 C   0  0  0  0  0
   -0.7428    1.0742   -0.4215 C   0  0  0  0  0
   -1.3019   -0.1843   -0.9581 N   0  0  0  0  0
   -0.7482   -1.3886   -0.2986 C   0  0  0  0  0
    0.7947   -1.3612   -0.3576 C   0  0  0  0  0
    1.4248   -0.1515    0.2344 N   0  0  0  0  0
    1.2446   -0.0782    1.7008 C   0  0  0  0  0
    1.8680   -1.2504    2.4047 C   0  0  0  0  0
    1.1006   -2.0970    3.1060 N   0  0  0  0  0
    1.9551   -3.0297    3.5957 N   0  0  0  0  0
    1.6318   -4.1289    4.3938 C   0  0  0  0  0
    2.5951   -4.9716    4.8039 C   0  0  0  0  0
    3.9677   -4.7142    4.3976 C   0  0  0  0  0
    4.2909   -3.6563    3.6281 C   0  0  0  0  0
    3.2672   -2.7637    3.1997 C   0  0  0  0  0
    3.2310   -1.6226    2.4359 C   0  0  0  0  0
   -2.7132   -0.1732   -0.9507 C   0  0  0  0  0
   -3.3914   -0.9856   -0.1145 N   0  0  0  0  0
   -4.7409   -0.9503   -0.1352 C   0  0  0  0  0
   -5.4762   -0.1355   -0.9783 C   0  0  0  0  0
   -4.7814    0.6893   -1.8504 C   0  0  0  0  0
   -3.3886    0.6707   -1.8347 C   0  0  0  0  0
   -5.6661   -2.0848    1.0716 Br  0  0  0  0  0
    1.1582    1.0585   -1.4554 H   0  0  0  0  0
    1.1952    1.9533    0.0445 H   0  0  0  0  0
   -1.0494    1.9275   -1.0387 H   0  0  0  0  0
   -1.1142    1.2543    0.5957 H   0  0  0  0  0
   -1.0729   -1.4605    0.7469 H   0  0  0  0  0
   -1.0930   -2.2882   -0.8243 H   0  0  0  0  0
    1.1971   -2.2757    0.0915 H   0  0  0  0  0
    1.1024   -1.4075   -1.4115 H   0  0  0  0  0
    0.1900    0.0046    1.9872 H   0  0  0  0  0
    1.7418    0.8264    2.0746 H   0  0  0  0  0
    0.5862   -4.2423    4.6450 H   0  0  0  0  0
    2.3763   -5.8334    5.4247 H   0  0  0  0  0
    4.7306   -5.4095    4.7361 H   0  0  0  0  0
    5.3189   -3.4768    3.3298 H   0  0  0  0  0
    4.0601   -1.1284    1.9513 H   0  0  0  0  0
   -6.5599   -0.1417   -0.9670 H   0  0  0  0  0
   -5.3134    1.3352   -2.5424 H   0  0  0  0  0
   -2.8312    1.2913   -2.5287 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
 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>
CHEMBL272396

>  <PubChem CID>
24824061

>  <Formula>
C17H18BrN5

>  <Molecular Weight>
372.270000

>  <IUPAC Name>
2-[[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=NN3C=CC=CC3=C2)C4=NC(=CC=C4)Br

>  <Isomeric SMILES>
C1CN(CCN1CC2=NN3C=CC=CC3=C2)C4=NC(=CC=C4)Br

>  <InChI Std. ID>
InChI=1S/C17H18BrN5/c18-16-5-3-6-17(19-16)22-10-8-21(9-11-22)13-14-12-15-4-1-2-7-23(15)20-14/h1-7,12H,8-11,13H2

>  <InChI Key>
ODVSDFIRQLJCEU-UHFFFAOYSA-N

