
 CHEMBL2048824

 62 67  0  0  0  0  0  0  0  0999 V2000
   -0.0283   -1.2545    0.2092 C   0  0  0  0  0
   -1.3531   -1.2172   -0.5491 C   0  0  0  0  0
   -2.2174   -0.1648   -0.0100 N   0  0  0  0  0
   -1.6388    1.1752   -0.0681 C   0  0  0  0  0
   -0.3327    1.2103    0.7272 C   0  0  0  0  0
    0.6285    0.1352    0.1897 C   0  0  0  0  0
    2.0238    0.1348    0.8557 C   0  0  0  0  0
    2.6398    0.6315   -0.3852 N   0  0  0  0  0
    1.3692    0.5194   -1.1169 C   0  0  0  0  0
    3.0514    2.0368   -0.2579 C   0  0  0  0  0
    4.4038    2.1822    0.4092 C   0  0  0  0  0
    4.5093    2.3529    1.7937 C   0  0  0  0  0
    5.7624    2.4736    2.4051 C   0  0  0  0  0
    6.9551    2.4416    1.6597 C   0  0  0  0  0
    6.8313    2.2699    0.2683 C   0  0  0  0  0
    5.5801    2.1335   -0.3474 C   0  0  0  0  0
    8.2733    2.5833    2.3119 C   0  0  0  0  0
    8.3036    2.6863    3.6579 N   0  0  0  0  0
    9.5150    2.8224    4.2273 C   0  0  0  0  0
   10.6883    2.8627    3.5148 C   0  0  0  0  0
   10.5551    2.7512    2.1523 C   0  0  0  0  0
    9.3710    2.6111    1.5278 N   0  0  0  0  0
   -3.3480   -0.3685    0.7742 C   0  0  0  0  0
   -3.9417    0.5729    1.3122 O   0  0  0  0  0
   -3.8567   -1.7843    0.9901 C   0  0  0  0  0
   -3.2152   -2.3951    2.1851 C   0  0  0  0  0
   -3.3658   -2.0452    3.5126 C   0  0  0  0  0
   -2.5631   -2.8988    4.2202 N   0  0  0  0  0
   -2.3380   -2.9693    5.5909 C   0  0  0  0  0
   -1.4974   -3.9050    6.0606 C   0  0  0  0  0
   -0.8495   -4.8147    5.1268 C   0  0  0  0  0
   -1.0749   -4.7352    3.7992 C   0  0  0  0  0
   -1.9632   -3.7443    3.2922 C   0  0  0  0  0
   -2.3433   -3.4572    2.0640 N   0  0  0  0  0
   -1.1665   -4.0562    7.7391 Cl  0  0  0  0  0
    0.6295   -2.0091   -0.2379 H   0  0  0  0  0
   -0.2080   -1.5570    1.2483 H   0  0  0  0  0
   -1.1818   -0.9806   -1.6061 H   0  0  0  0  0
   -1.8221   -2.1998   -0.5133 H   0  0  0  0  0
   -2.3292    1.9287    0.3234 H   0  0  0  0  0
   -1.4614    1.4126   -1.1233 H   0  0  0  0  0
    0.1057    2.2115    0.6621 H   0  0  0  0  0
   -0.5417    1.0179    1.7873 H   0  0  0  0  0
    2.3963   -0.8583    1.1366 H   0  0  0  0  0
    2.1027    0.7658    1.7469 H   0  0  0  0  0
    1.0140    1.4297   -1.6148 H   0  0  0  0  0
    1.3891   -0.2728   -1.8754 H   0  0  0  0  0
    2.3153    2.6539    0.2731 H   0  0  0  0  0
    3.1312    2.4787   -1.2609 H   0  0  0  0  0
    3.6187    2.3906    2.4155 H   0  0  0  0  0
    5.8018    2.5958    3.4866 H   0  0  0  0  0
    7.7235    2.2355   -0.3553 H   0  0  0  0  0
    5.5327    1.9886   -1.4246 H   0  0  0  0  0
    9.5113    2.9014    5.3104 H   0  0  0  0  0
   11.6501    2.9747    3.9940 H   0  0  0  0  0
   11.4230    2.7724    1.4998 H   0  0  0  0  0
   -3.7355   -2.3986    0.0953 H   0  0  0  0  0
   -4.9408   -1.7247    1.1513 H   0  0  0  0  0
   -3.9525   -1.2723    3.9900 H   0  0  0  0  0
   -2.8578   -2.2570    6.2185 H   0  0  0  0  0
   -0.1743   -5.5666    5.5237 H   0  0  0  0  0
   -0.5962   -5.4099    3.0991 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 40  1  0  0  0
  4 41  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  5 43  1  0  0  0
  6  9  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  9 46  1  0  0  0
  9 47  1  0  0  0
 10 11  1  0  0  0
 10 48  1  0  0  0
 10 49  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 50  1  0  0  0
 13 14  2  0  0  0
 13 51  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 52  1  0  0  0
 16 53  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 54  1  0  0  0
 20 21  1  0  0  0
 20 55  1  0  0  0
 21 22  2  0  0  0
 21 56  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 26  1  0  0  0
 25 57  1  0  0  0
 25 58  1  0  0  0
 26 34  1  0  0  0
 26 27  2  0  0  0
 27 28  1  0  0  0
 27 59  1  0  0  0
 28 33  1  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 60  1  0  0  0
 30 31  1  0  0  0
 30 35  1  0  0  0
 31 32  2  0  0  0
 31 61  1  0  0  0
 32 33  1  0  0  0
 32 62  1  0  0  0
 33 34  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL2048824

>  <PubChem CID>
70684155

>  <Formula>
C27H27ClN6O

>  <Molecular Weight>
487.004000

>  <IUPAC Name>
2-(6-chloroimidazo[1,2-a]pyridin-2-yl)-1-[2-[(4-pyrimidin-2-ylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC12CN(C2)CC3=CC=C(C=C3)C4=NC=CC=N4)C(=O)CC5=CN6C=C(C=CC6=N5)Cl

>  <Isomeric SMILES>
C1CN(CCC12CN(C2)CC3=CC=C(C=C3)C4=NC=CC=N4)C(=O)CC5=CN6C=C(C=CC6=N5)Cl

>  <InChI Std. ID>
InChI=1S/C27H27ClN6O/c28-22-6-7-24-31-23(17-34(24)16-22)14-25(35)33-12-8-27(9-13-33)18-32(19-27)15-20-2-4-21(5-3-20)26-29-10-1-11-30-26/h1-7,10-11,16-17H,8-9,12-15,18-19H2

>  <InChI Key>
ALJLTMVYVWFNTN-UHFFFAOYSA-N

