2-Propen-1-one, 1-[(2S,5R)-5-[[5-[(R)-cyclopropylhydroxymethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methyl-1-piperidinyl]-
  -molcms-05302607282D

 26 29  0  0  1  0  0  0  0  0999 V2000
    4.3301   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301   -1.5000    0.0000 C   0  0  1  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
    3.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.5000    0.0000 C   0  0  1  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
    0.8660   -0.5000    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   -2.0000    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
   -0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6092    0.1691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2024    1.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2079    0.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4612    1.7213    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4394    1.5134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1522    2.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5909    3.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3601    3.6505    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
    3.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    1.0000    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
    6.0622   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  1  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  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  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  1  0  0  0  0
 15 21  1  0  0  0  0
 21  8  2  0  0  0  0
 21 12  1  0  0  0  0
  6 22  1  0  0  0  0
 22  1  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <ProductName>
2-Propen-1-one, 1-[(2S,5R)-5-[[5-[(R)-cyclopropylhydroxymethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methyl-1-piperidinyl]-

>  <CASNumber>
2411407-64-0

>  <MolecularFormula>
C19H25N5O2

>  <MDLNo>


>  <MolWt>
355.43

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
N1([C@@H](C)CC[C@@H](NC2NC=NC3=NC=C([C@H](O)C4CC4)C=23)C1)C(C=C)=O

$$$$
