2-Propen-1-one, 1-[(2S,5R)-5-[[5-[2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methyl-1-piperidinyl]-
  -molcms-05302608202D

 27 30  0  0  1  0  0  0  0  0999 V2000
   -0.8660    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7321    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    3.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3301    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0622    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9511   -1.3090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9511    0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    1.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0032    1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0522    2.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3830    2.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6920    3.9324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6702    4.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12  2  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 27  1  0  0  0  0
 27 13  2  0  0  0  0
 27 17  1  0  0  0  0
M  END
>  <ProductName>
2-Propen-1-one, 1-[(2S,5R)-5-[[5-[2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methyl-1-piperidinyl]-

>  <CASNumber>
2411407-20-8

>  <MolecularFormula>
C20H27N5O2

>  <MDLNo>


>  <MolWt>
369.46

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
N([C@@H]1CC[C@H](C)N(C(=O)C=C)C1)C1N=CN=C2NC=C(C3CC3COC)C=12

$$$$