
 MK-3697

 53 56  0  0  0  0  0  0  0  0999 V2000
    6.3679    1.4739    0.8969 C   0  0  0  0  0
    6.6628    0.9104   -0.4565 C   0  0  0  0  0
    6.2929    1.5769   -1.6154 C   0  0  0  0  0
    6.5302    1.1078   -2.8554 N   0  0  0  0  0
    7.1556   -0.0950   -2.9418 C   0  0  0  0  0
    7.5689   -0.8787   -1.8589 C   0  0  0  0  0
    7.3174   -0.3230   -0.5935 C   0  0  0  0  0
    8.1707   -2.2135   -2.0706 C   0  0  0  0  0
    8.4411   -2.5360   -3.3583 N   0  0  0  0  0
    8.8826   -3.7874   -3.6421 C   0  0  0  0  0
    9.0609   -4.8029   -2.7107 C   0  0  0  0  0
    8.8279   -4.4372   -1.3819 C   0  0  0  0  0
    8.3907   -3.1395   -1.0592 C   0  0  0  0  0
    8.9829   -5.3524   -0.2261 C   0  0  0  0  0
    9.6056   -4.9677    0.7569 O   0  0  0  0  0
    8.3204   -6.5503   -0.3078 N   0  0  0  0  0
    8.2378   -7.4543    0.8183 C   0  0  0  0  0
    6.8452   -7.5025    1.4149 C   0  0  0  0  0
    6.0760   -6.3879    1.3371 N   0  0  0  0  0
    4.8566   -6.4200    1.9265 C   0  0  0  0  0
    4.3423   -7.5344    2.5948 C   0  0  0  0  0
    5.1405   -8.6756    2.6400 C   0  0  0  0  0
    6.4084   -8.6579    2.0574 C   0  0  0  0  0
    3.0903   -7.4348    3.1375 O   0  0  0  0  0
    2.7613   -8.3747    4.1521 C   0  0  0  0  0
    4.0668   -5.2846    1.8783 O   0  0  0  0  0
    4.7334   -4.1600    1.3171 C   0  0  0  0  0
    9.4705   -6.1454   -3.1351 C   0  0  0  0  0
   10.3063   -6.9303   -2.4869 N   0  0  0  0  0
   10.4067   -8.1555   -3.1177 C   0  0  0  0  0
    9.6515   -8.2989   -4.2585 C   0  0  0  0  0
    8.7713   -6.8613   -4.5483 S   0  0  0  0  0
    7.2982    1.6493    1.4454 H   0  0  0  0  0
    5.7404    0.7788    1.4647 H   0  0  0  0  0
    5.8318    2.4263    0.8277 H   0  0  0  0  0
    5.7775    2.5327   -1.5829 H   0  0  0  0  0
    7.3061   -0.4328   -3.9658 H   0  0  0  0  0
    7.6171   -0.8418    0.3131 H   0  0  0  0  0
    9.0881   -3.9397   -4.6997 H   0  0  0  0  0
    8.1910   -2.9050   -0.0183 H   0  0  0  0  0
    7.6937   -6.7245   -1.0804 H   0  0  0  0  0
    8.9538   -7.1769    1.5986 H   0  0  0  0  0
    8.5087   -8.4435    0.4330 H   0  0  0  0  0
    4.8039   -9.5898    3.1164 H   0  0  0  0  0
    7.0396   -9.5402    2.1061 H   0  0  0  0  0
    2.5962   -9.3686    3.7250 H   0  0  0  0  0
    1.8243   -8.0516    4.6159 H   0  0  0  0  0
    3.5273   -8.4043    4.9349 H   0  0  0  0  0
    4.9873   -4.3317    0.2654 H   0  0  0  0  0
    5.6234   -3.8927    1.8979 H   0  0  0  0  0
    4.0451   -3.3101    1.3572 H   0  0  0  0  0
   11.0514   -8.9167   -2.6959 H   0  0  0  0  0
    9.5723   -9.1545   -4.9133 H   0  0  0  0  0
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  1 34  1  0  0  0
  1 35  1  0  0  0
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  2  3  2  0  0  0
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  3 36  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
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  7 38  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
MK-3697

>  <PubChem CID>
46190695

>  <Formula>
C23H21N5O3S

>  <Molecular Weight>
447.513000

>  <IUPAC Name>
N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-(5-methylpyridin-3-yl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CN=CC(=C1)C2=NC=C(C(=C2)C(=O)NCC3=NC(=C(C=C3)OC)OC)C4=NC=CS4

>  <Isomeric SMILES>
CC1=CN=CC(=C1)C2=NC=C(C(=C2)C(=O)NCC3=NC(=C(C=C3)OC)OC)C4=NC=CS4

>  <InChI Std. ID>
InChI=1S/C23H21N5O3S/c1-14-8-15(11-24-10-14)19-9-17(18(13-26-19)23-25-6-7-32-23)21(29)27-12-16-4-5-20(30-2)22(28-16)31-3/h4-11,13H,12H2,1-3H3,(H,27,29)

>  <InChI Key>
VSOUDUXMPUHJEU-UHFFFAOYSA-N

