
 CHEMBL3975274

 60 63  0  0  0  0  0  0  0  0999 V2000
   14.1577   -7.2214   -6.0616 C   0  0  0  0  0
   12.7387   -6.9821   -5.6534 C   0  0  0  0  0
   11.7629   -6.6411   -6.5832 C   0  0  0  0  0
   10.4770   -6.3645   -6.2658 N   0  0  0  0  0
   10.1469   -6.4177   -4.9520 C   0  0  0  0  0
   11.0343   -6.7634   -3.9432 C   0  0  0  0  0
   12.3579   -7.0321   -4.3088 C   0  0  0  0  0
   10.6510   -6.8059   -2.5083 C   0  0  0  0  0
   11.5378   -6.6067   -1.6845 O   0  0  0  0  0
    9.3264   -7.1114   -2.2357 N   0  0  0  0  0
    8.7209   -7.2018   -0.9597 C   0  0  0  0  0
    9.3808   -6.8978    0.2317 C   0  0  0  0  0
    8.7341   -7.0438    1.4596 C   0  0  0  0  0
    7.4202   -7.4994    1.5085 C   0  0  0  0  0
    6.7231   -7.7906    0.3281 C   0  0  0  0  0
    7.3828   -7.6267   -0.9032 C   0  0  0  0  0
    5.2886   -8.2800    0.3912 C   0  0  0  0  0
    4.2735   -7.2262    0.2332 N   0  0  0  0  0
    2.9134   -7.7795    0.1371 C   0  0  0  0  0
    2.3862   -8.3851    1.4454 C   0  0  0  0  0
    2.5138   -7.4319    2.6410 C   0  0  0  0  0
    3.8626   -6.7013    2.6558 C   0  0  0  0  0
    4.2955   -6.1930    1.2781 C   0  0  0  0  0
    1.3434   -6.4464    2.6704 C   0  0  0  0  0
    1.4199   -5.3367    2.1440 O   0  0  0  0  0
    0.1780   -6.8667    3.2749 N   0  0  0  0  0
   -0.0324   -8.0652    4.0734 C   0  0  0  0  0
   -1.5223   -8.0694    4.3719 C   0  0  0  0  0
   -1.8613   -6.5884    4.4344 C   0  0  0  0  0
   -0.9788   -5.9829    3.3525 C   0  0  0  0  0
   -3.1729   -6.3977    4.1679 F   0  0  0  0  0
   14.5796   -8.0690   -5.5114 H   0  0  0  0  0
   14.7613   -6.3304   -5.8608 H   0  0  0  0  0
   14.2304   -7.4560   -7.1290 H   0  0  0  0  0
   11.9933   -6.5693   -7.6437 H   0  0  0  0  0
    9.1193   -6.1345   -4.7471 H   0  0  0  0  0
   13.0922   -7.2744   -3.5421 H   0  0  0  0  0
    8.7318   -7.3832   -3.0067 H   0  0  0  0  0
   10.4053   -6.5415    0.2449 H   0  0  0  0  0
    9.2627   -6.8022    2.3780 H   0  0  0  0  0
    6.9386   -7.6131    2.4758 H   0  0  0  0  0
    6.8367   -7.8466   -1.8178 H   0  0  0  0  0
    5.1520   -8.8505    1.3178 H   0  0  0  0  0
    5.1672   -9.0135   -0.4179 H   0  0  0  0  0
    2.8721   -8.5345   -0.6580 H   0  0  0  0  0
    2.2321   -6.9828   -0.1899 H   0  0  0  0  0
    1.3421   -8.6860    1.2970 H   0  0  0  0  0
    2.9398   -9.3062    1.6656 H   0  0  0  0  0
    2.4713   -8.0203    3.5648 H   0  0  0  0  0
    3.8307   -5.8583    3.3568 H   0  0  0  0  0
    4.6230   -7.3886    3.0449 H   0  0  0  0  0
    3.6386   -5.3723    0.9646 H   0  0  0  0  0
    5.2836   -5.7264    1.3510 H   0  0  0  0  0
    0.5553   -7.9646    4.9929 H   0  0  0  0  0
    0.2913   -8.9609    3.5375 H   0  0  0  0  0
   -2.0821   -8.5465    3.5589 H   0  0  0  0  0
   -1.7670   -8.5979    5.2976 H   0  0  0  0  0
   -1.6299   -6.1694    5.4197 H   0  0  0  0  0
   -1.4768   -5.9786    2.3771 H   0  0  0  0  0
   -0.6759   -4.9592    3.5937 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  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 37  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
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 18 23  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
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 20 21  1  0  0  0
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 21 22  1  0  0  0
 21 24  1  0  0  0
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 22 23  1  0  0  0
 22 50  1  0  0  0
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 23 53  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 30  1  0  0  0
 26 27  1  0  0  0
 27 28  1  0  0  0
 27 54  1  0  0  0
 27 55  1  0  0  0
 28 29  1  0  0  0
 28 56  1  0  0  0
 28 57  1  0  0  0
 29 30  1  0  0  0
 29 31  1  0  0  0
 29 58  1  0  0  0
 30 59  1  0  0  0
 30 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3975274

>  <PubChem CID>
129626228

>  <Formula>
C24H29FN4O2

>  <Molecular Weight>
424.520000

>  <IUPAC Name>
N-[3-[[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CN=CC(=C1)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)N4CCC(C4)F

>  <Isomeric SMILES>
CC1=CN=CC(=C1)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)N4CC[C@@H](C4)F

>  <InChI Std. ID>
InChI=1S/C24H29FN4O2/c1-17-11-20(14-26-13-17)23(30)27-22-4-2-3-18(12-22)15-28-8-5-19(6-9-28)24(31)29-10-7-21(25)16-29/h2-4,11-14,19,21H,5-10,15-16H2,1H3,(H,27,30)/t21-/m0/s1

>  <InChI Key>
BLYLYYYSFJHHDJ-NRFANRHFSA-N

