
 CHEMBL3979433

 44 47  0  0  0  0  0  0  0  0999 V2000
   -1.4907   -4.3366   -1.0002 C   0  0  0  0  0
   -0.7908   -4.9687    0.2099 C   0  0  0  0  0
    0.4919   -4.3801    0.4686 O   0  0  0  0  0
    0.4270   -2.9441    0.6278 C   0  0  0  0  0
   -0.2896   -2.3190   -0.6049 C   0  0  0  0  0
   -1.6356   -2.8773   -0.8566 N   0  0  0  0  0
   -0.0834   -2.5464    2.0123 C   0  0  0  0  0
    0.1241   -3.3897    3.1171 C   0  0  0  0  0
   -0.2875   -3.0189    4.4055 C   0  0  0  0  0
   -0.8995   -1.7847    4.6305 C   0  0  0  0  0
   -1.0848   -0.9294    3.5455 C   0  0  0  0  0
   -0.6783   -1.3024    2.2561 C   0  0  0  0  0
   -1.3089   -1.4818    5.9445 N   0  0  0  0  0
   -1.9985   -0.3635    6.3762 C   0  0  0  0  0
   -2.2968    0.6159    5.7022 O   0  0  0  0  0
   -2.4320   -0.4674    7.7832 C   0  0  0  0  0
   -1.9782   -1.4192    8.6272 N   0  0  0  0  0
   -2.6873   -1.2186    9.7772 N   0  0  0  0  0
   -3.5611   -0.1625    9.6643 C   0  0  0  0  0
   -3.3937    0.3627    8.4099 C   0  0  0  0  0
   -2.5426   -2.0475   10.9226 C   0  0  0  0  0
   -1.4949   -2.9611   10.9790 C   0  0  0  0  0
   -1.3043   -3.7951   12.0361 N   0  0  0  0  0
   -2.2142   -3.6854   13.0285 C   0  0  0  0  0
   -3.2614   -2.7806   12.9843 C   0  0  0  0  0
   -3.4443   -1.9307   11.9416 N   0  0  0  0  0
   -1.9919   -4.7459   14.3518 Cl  0  0  0  0  0
   -0.9172   -4.5456   -1.9115 H   0  0  0  0  0
   -2.4806   -4.7856   -1.1326 H   0  0  0  0  0
   -0.6246   -6.0341    0.0193 H   0  0  0  0  0
   -1.4169   -4.8935    1.1058 H   0  0  0  0  0
    1.4694   -2.6009    0.5959 H   0  0  0  0  0
   -0.3639   -1.2306   -0.5247 H   0  0  0  0  0
    0.3203   -2.5111   -1.4977 H   0  0  0  0  0
   -2.2121   -2.6934   -0.0329 H   0  0  0  0  0
    0.6132   -4.3531    2.9812 H   0  0  0  0  0
   -0.1174   -3.7143    5.2234 H   0  0  0  0  0
   -1.5392    0.0494    3.6589 H   0  0  0  0  0
   -0.8333   -0.5800    1.4590 H   0  0  0  0  0
   -1.1512   -2.1783    6.6660 H   0  0  0  0  0
   -4.2078    0.1186   10.4842 H   0  0  0  0  0
   -3.9200    1.2003    7.9719 H   0  0  0  0  0
   -0.7557   -3.0483   10.1883 H   0  0  0  0  0
   -3.9916   -2.7141   13.7829 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  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 35  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  9 10  2  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 38  1  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 42  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 43  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3979433

>  <PubChem CID>
134152231

>  <Formula>
C18H17ClN6O2

>  <Molecular Weight>
384.824000

>  <IUPAC Name>
1-(5-chloropyrazin-2-yl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC(=O)C3=NN(C=C3)C4=CN=C(C=N4)Cl

>  <Isomeric SMILES>
C1CO[C@@H](CN1)C2=CC=C(C=C2)NC(=O)C3=NN(C=C3)C4=CN=C(C=N4)Cl

>  <InChI Std. ID>
InChI=1S/C18H17ClN6O2/c19-16-10-22-17(11-21-16)25-7-5-14(24-25)18(26)23-13-3-1-12(2-4-13)15-9-20-6-8-27-15/h1-5,7,10-11,15,20H,6,8-9H2,(H,23,26)/t15-/m0/s1

>  <InChI Key>
ATQWQGDZEKQJHT-HNNXBMFYSA-N

