
 CHEMBL1760214

 48 51  0  0  0  0  0  0  0  0999 V2000
    1.2934    1.3217    1.4207 C   0  0  0  0  0
    2.4420    0.9039    0.6974 O   0  0  0  0  0
    3.4809    1.7994    0.5743 C   0  0  0  0  0
    3.4765    3.0754    1.1577 C   0  0  0  0  0
    4.5499    3.9452    0.9720 C   0  0  0  0  0
    5.6347    3.5509    0.2011 C   0  0  0  0  0
    5.6505    2.2827   -0.3841 C   0  0  0  0  0
    4.5883    1.3759   -0.2113 C   0  0  0  0  0
    4.6115    0.0825   -0.7875 N   0  0  0  0  0
    4.8138   -0.9767    0.2331 C   0  0  0  0  0
    4.5888   -2.3665   -0.3910 C   0  0  0  0  0
    5.4229   -2.5582   -1.5885 N   0  0  0  0  0
    5.2148   -1.5149   -2.5977 C   0  0  0  0  0
    5.4363   -0.1129   -2.0010 C   0  0  0  0  0
    6.0203   -3.7525   -1.9735 C   0  0  0  0  0
    6.2371   -4.0026   -3.1585 O   0  0  0  0  0
    6.4209   -4.6958   -0.9600 C   0  0  0  0  0
    6.7766   -4.5870    0.3687 C   0  0  0  0  0
    7.0647   -5.9047    0.8199 C   0  0  0  0  0
    6.9710   -6.7759   -0.2009 N   0  0  0  0  0
    6.6272   -6.0155   -1.2548 N   0  0  0  0  0
    7.4075   -6.2993    2.1917 C   0  0  0  0  0
    7.7762   -7.6060    2.4993 C   0  0  0  0  0
    8.0663   -7.9275    3.8235 C   0  0  0  0  0
    7.9779   -6.9416    4.7985 C   0  0  0  0  0
    7.6050   -5.6664    4.4086 C   0  0  0  0  0
    7.3210   -5.3214    3.1342 N   0  0  0  0  0
    0.5660    0.5044    1.3957 H   0  0  0  0  0
    0.8258    2.1953    0.9544 H   0  0  0  0  0
    1.5373    1.5146    2.4707 H   0  0  0  0  0
    2.6470    3.4254    1.7620 H   0  0  0  0  0
    4.5366    4.9323    1.4280 H   0  0  0  0  0
    6.4750    4.2248    0.0551 H   0  0  0  0  0
    6.5286    2.0135   -0.9615 H   0  0  0  0  0
    4.1293   -0.8705    1.0810 H   0  0  0  0  0
    5.8384   -0.9151    0.6234 H   0  0  0  0  0
    4.7321   -3.1476    0.3539 H   0  0  0  0  0
    3.5458   -2.4569   -0.7223 H   0  0  0  0  0
    5.8922   -1.6567   -3.4473 H   0  0  0  0  0
    4.1870   -1.6187   -2.9700 H   0  0  0  0  0
    6.5010   -0.0152   -1.7556 H   0  0  0  0  0
    5.1796    0.6371   -2.7588 H   0  0  0  0  0
    6.8183   -3.6886    0.9686 H   0  0  0  0  0
    6.5299   -6.4527   -2.1662 H   0  0  0  0  0
    7.8335   -8.3636    1.7237 H   0  0  0  0  0
    8.3552   -8.9408    4.0885 H   0  0  0  0  0
    8.1931   -7.1618    5.8385 H   0  0  0  0  0
    7.5203   -4.8633    5.1350 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 22  1  0  0  0
 20 21  1  0  0  0
 21 44  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 45  1  0  0  0
 24 25  2  0  0  0
 24 46  1  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 26 27  2  0  0  0
 26 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1760214

>  <PubChem CID>
54580930

>  <Formula>
C20H21N5O2

>  <Molecular Weight>
363.421000

>  <IUPAC Name>
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=CC=N4

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C20H21N5O2/c1-27-19-8-3-2-7-18(19)24-10-12-25(13-11-24)20(26)17-14-16(22-23-17)15-6-4-5-9-21-15/h2-9,14H,10-13H2,1H3,(H,22,23)

>  <InChI Key>
ANBJLHPYTDNGSV-UHFFFAOYSA-N

