
 SCHEMBL15111506

 41 44  0  0  0  0  0  0  0  0999 V2000
    1.8539   -0.1674   -0.0228 C   0  0  0  0  0
    0.7295    0.6642    0.6081 C   0  0  0  0  0
   -0.5687    0.1047    0.3593 O   0  0  0  0  0
   -0.6738   -1.2742    0.7844 C   0  0  0  0  0
    0.4701   -2.1004    0.1292 C   0  0  0  0  0
    1.8210   -1.5732    0.4194 N   0  0  0  0  0
   -0.8377   -1.3889    2.2995 C   0  0  0  0  0
   -0.4811   -2.5455    3.0060 C   0  0  0  0  0
   -0.6763   -2.6355    4.3907 C   0  0  0  0  0
   -1.2470   -1.5803    5.1106 C   0  0  0  0  0
   -1.6272   -0.4321    4.4090 C   0  0  0  0  0
   -1.4384   -0.3457    3.0242 C   0  0  0  0  0
   -1.4336   -1.6906    6.5553 C   0  0  0  0  0
   -0.7375   -2.3945    7.5199 C   0  0  0  0  0
   -1.3815   -2.1323    8.7609 C   0  0  0  0  0
   -2.4282   -1.3143    8.5705 N   0  0  0  0  0
   -2.4401   -1.0762    7.2506 N   0  0  0  0  0
   -1.0324   -2.6311   10.0951 C   0  0  0  0  0
    0.0588   -3.4793   10.2919 C   0  0  0  0  0
    0.3253   -3.9099   11.5796 C   0  0  0  0  0
   -0.3918   -3.5717   12.6680 N   0  0  0  0  0
   -1.4403   -2.7522   12.4569 C   0  0  0  0  0
   -1.7946   -2.2638   11.2104 C   0  0  0  0  0
    1.6500   -4.9546   11.8954 Cl  0  0  0  0  0
    1.7661   -0.1399   -1.1157 H   0  0  0  0  0
    2.8254    0.2682    0.2338 H   0  0  0  0  0
    0.7351    1.6718    0.1794 H   0  0  0  0  0
    0.8838    0.7717    1.6874 H   0  0  0  0  0
   -1.6177   -1.6401    0.3600 H   0  0  0  0  0
    0.4279   -3.1540    0.4204 H   0  0  0  0  0
    0.3342   -2.0848   -0.9602 H   0  0  0  0  0
    1.9563   -1.5900    1.4322 H   0  0  0  0  0
   -0.0542   -3.4086    2.5021 H   0  0  0  0  0
   -0.3899   -3.5558    4.8954 H   0  0  0  0  0
   -2.0607    0.4232    4.9206 H   0  0  0  0  0
   -1.7581    0.5599    2.5096 H   0  0  0  0  0
    0.1343   -3.0084    7.3465 H   0  0  0  0  0
   -3.1792   -0.4902    6.8791 H   0  0  0  0  0
    0.6925   -3.8041    9.4766 H   0  0  0  0  0
   -2.0101   -2.4871   13.3432 H   0  0  0  0  0
   -2.6539   -1.6062   11.1134 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  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 32  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 36  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 16  2  0  0  0
 15 18  1  0  0  0
 16 17  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 40  1  0  0  0
 23 41  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL15111506

>  <PubChem CID>
71656717

>  <Formula>
C18H17ClN4O

>  <Molecular Weight>
340.811000

>  <IUPAC Name>
(2S)-2-[4-[3-(2-chloropyridin-4-yl)-1H-pyrazol-5-yl]phenyl]morpholine

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)C3=CC(=NN3)C4=CC(=NC=C4)Cl

>  <Isomeric SMILES>
C1CO[C@H](CN1)C2=CC=C(C=C2)C3=CC(=NN3)C4=CC(=NC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C18H17ClN4O/c19-18-9-14(5-6-21-18)16-10-15(22-23-16)12-1-3-13(4-2-12)17-11-20-7-8-24-17/h1-6,9-10,17,20H,7-8,11H2,(H,22,23)/t17-/m1/s1

>  <InChI Key>
AZWGTCVGFJCKBW-QGZVFWFLSA-N

