
 3-[(1,2,5,6-Tetrahydropyridin)-4-yl]-5H-pyrrolo[3,2-b]pyridin-5-one

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.9515    0.9780   -0.5106 C   0  0  0  0  0
    0.5042    1.3618   -0.2029 C   0  0  0  0  0
    1.4029    0.2316   -0.4273 N   0  0  0  0  0
    1.0783   -0.8733    0.4750 C   0  0  0  0  0
   -0.3906   -1.1661    0.5703 C   0  0  0  0  0
   -1.3542   -0.3459    0.1097 C   0  0  0  0  0
   -2.7628   -0.6530    0.1840 C   0  0  0  0  0
   -3.8098   -0.0808   -0.4386 C   0  0  0  0  0
   -5.0766   -0.5618   -0.1727 N   0  0  0  0  0
   -4.8860   -1.5061    0.6817 C   0  0  0  0  0
   -3.4435   -1.6675    1.0079 C   0  0  0  0  0
   -2.9973   -2.5261    1.8514 N   0  0  0  0  0
   -3.8673   -3.3648    2.5034 C   0  0  0  0  0
   -3.5074   -4.1996    3.3245 O   0  0  0  0  0
   -5.3237   -3.2589    2.1998 C   0  0  0  0  0
   -5.8412   -2.3817    1.3360 C   0  0  0  0  0
   -1.0901    0.9160   -1.5980 H   0  0  0  0  0
   -1.5956    1.7855   -0.1407 H   0  0  0  0  0
    0.7990    2.1932   -0.8529 H   0  0  0  0  0
    0.5954    1.7195    0.8309 H   0  0  0  0  0
    2.3658    0.5189   -0.2615 H   0  0  0  0  0
    1.4617   -0.6627    1.4806 H   0  0  0  0  0
    1.5945   -1.7692    0.1134 H   0  0  0  0  0
   -0.6344   -2.1166    1.0380 H   0  0  0  0  0
   -3.7199    0.7355   -1.1476 H   0  0  0  0  0
   -5.9531   -3.9556    2.7420 H   0  0  0  0  0
   -6.8935   -2.2928    1.1105 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  2  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 10  2  0  0  0
 10 16  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 26  1  0  0  0
 16 27  1  0  0  0
M  END

>  <Chemical Name>
3-[(1,2,5,6-Tetrahydropyridin)-4-yl]-5H-pyrrolo[3,2-b]pyridin-5-one

>  <PubChem CID>
22388578

>  <Formula>
C12H11N3O

>  <Molecular Weight>
213.240000

>  <IUPAC Name>
3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-5-one

>  <XlogP>
-0.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CNCC=C1C2=CN=C3C2=NC(=O)C=C3

>  <Isomeric SMILES>
C1CNCC=C1C2=CN=C3C2=NC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C12H11N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13H,4-6H2

>  <InChI Key>
KXFDXSLJWQLUPK-UHFFFAOYSA-N

