
 CHEMBL1099123

 61 65  0  0  0  0  0  0  0  0999 V2000
    0.5739    3.6453    0.2743 C   0  0  0  0  0
    2.0678    3.8933    0.1369 C   0  0  0  0  0
    2.8900    2.6186    0.2274 C   0  0  0  0  0
    2.3594    1.5092    0.3451 O   0  0  0  0  0
    4.2530    2.6662    0.1808 N   0  0  0  0  0
    5.0839    3.7602    0.0578 C   0  0  0  0  0
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    5.7453    5.7597   -0.1272 N   0  0  0  0  0
    6.8918    5.0396   -0.0384 C   0  0  0  0  0
    8.1225    5.5603   -0.0720 N   0  0  0  0  0
    9.1253    4.6618    0.0174 C   0  0  0  0  0
    8.8989    3.2730    0.1703 C   0  0  0  0  0
   10.0698    2.3013    0.2501 C   0  0  0  0  0
    9.6965    0.9406    0.7085 N   0  0  0  0  0
    8.5762    0.4536   -0.1005 C   0  0  0  0  0
    7.3267    1.2788    0.2115 C   0  0  0  0  0
    7.5637    2.7660    0.1448 C   0  0  0  0  0
    6.5197    3.7160    0.0656 C   0  0  0  0  0
   10.8352    0.0122    0.6168 C   0  0  0  0  0
   11.9362    0.2996    1.6151 C   0  0  0  0  0
   11.6847    0.2327    2.9944 C   0  0  0  0  0
   12.7063    0.4713    3.9153 C   0  0  0  0  0
   13.9900    0.7791    3.4679 C   0  0  0  0  0
   14.2522    0.8498    2.1009 C   0  0  0  0  0
   13.2315    0.6106    1.1785 C   0  0  0  0  0
   10.4508    5.1616   -0.1278 N   0  0  0  0  0
   11.0219    5.4825    1.1958 C   0  0  0  0  0
   12.4731    5.9392    1.0150 C   0  0  0  0  0
   12.5606    7.1421    0.0776 C   0  0  0  0  0
   11.8725    6.8365   -1.2497 C   0  0  0  0  0
   10.4466    6.3459   -1.0202 C   0  0  0  0  0
    0.0249    4.5874    0.1842 H   0  0  0  0  0
    0.3377    3.2055    1.2495 H   0  0  0  0  0
    0.2129    2.9622   -0.5010 H   0  0  0  0  0
    2.3709    4.5700    0.9417 H   0  0  0  0  0
    2.2519    4.3622   -0.8341 H   0  0  0  0  0
    4.6882    1.7625    0.2777 H   0  0  0  0  0
    5.6662    6.7621   -0.2278 H   0  0  0  0  0
   10.5419    2.2585   -0.7405 H   0  0  0  0  0
   10.8005    2.6932    0.9622 H   0  0  0  0  0
    8.3520   -0.5946    0.1310 H   0  0  0  0  0
    8.8135    0.5032   -1.1722 H   0  0  0  0  0
    6.9611    1.0333    1.2167 H   0  0  0  0  0
    6.5500    0.9986   -0.5083 H   0  0  0  0  0
   11.2382   -0.0113   -0.4046 H   0  0  0  0  0
   10.4952   -1.0112    0.8292 H   0  0  0  0  0
   10.6847   -0.0043    3.3524 H   0  0  0  0  0
   12.5002    0.4158    4.9806 H   0  0  0  0  0
   14.7857    0.9629    4.1846 H   0  0  0  0  0
   15.2531    1.0887    1.7521 H   0  0  0  0  0
   13.4551    0.6668    0.1159 H   0  0  0  0  0
   11.0153    4.6117    1.8605 H   0  0  0  0  0
   10.4429    6.2739    1.6908 H   0  0  0  0  0
   12.9081    6.1957    1.9873 H   0  0  0  0  0
   13.0689    5.1156    0.5991 H   0  0  0  0  0
   12.0799    8.0081    0.5492 H   0  0  0  0  0
   13.6076    7.4105   -0.0975 H   0  0  0  0  0
   11.8562    7.7384   -1.8741 H   0  0  0  0  0
   12.4441    6.0746   -1.7939 H   0  0  0  0  0
    9.8647    7.1733   -0.5900 H   0  0  0  0  0
   10.0049    6.0870   -1.9919 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
  6 18  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 18  1  0  0  0
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 11 12  2  0  0  0
 11 26  1  0  0  0
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 12 17  1  0  0  0
 13 14  1  0  0  0
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 14 15  1  0  0  0
 14 19  1  0  0  0
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 28 29  1  0  0  0
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 30 59  1  0  0  0
 31 60  1  0  0  0
 31 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1099123

>  <PubChem CID>
46887981

>  <Formula>
C24H30N6O

>  <Molecular Weight>
418.545000

>  <IUPAC Name>
N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl)propanamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC(=O)NC1=NNC2=NC(=C3CN(CCC3=C21)CC4=CC=CC=C4)N5CCCCC5

>  <Isomeric SMILES>
CCC(=O)NC1=NNC2=NC(=C3CN(CCC3=C21)CC4=CC=CC=C4)N5CCCCC5

>  <InChI Std. ID>
InChI=1S/C24H30N6O/c1-2-20(31)25-22-21-18-11-14-29(15-17-9-5-3-6-10-17)16-19(18)24(26-23(21)28-27-22)30-12-7-4-8-13-30/h3,5-6,9-10H,2,4,7-8,11-16H2,1H3,(H2,25,26,27,28,31)

>  <InChI Key>
DIDFCPKJAIBIBS-UHFFFAOYSA-N

