
 SCHEMBL2195290

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.9760    0.2464    0.6413 C   0  0  0  0  0
    2.4320    0.2055    0.2781 C   0  0  0  0  0
    3.2497   -0.8282    0.7468 C   0  0  0  0  0
    4.6113   -0.8560    0.4338 C   0  0  0  0  0
    5.1741    0.1652   -0.3407 C   0  0  0  0  0
    4.3627    1.2110   -0.8003 C   0  0  0  0  0
    3.0005    1.2289   -0.4876 C   0  0  0  0  0
    6.5602    0.1497   -0.6503 N   0  0  0  0  0
    7.3889    1.2498   -0.7630 C   0  0  0  0  0
    8.6254    0.7491   -1.0653 C   0  0  0  0  0
    9.7414    1.5966   -1.2306 C   0  0  0  0  0
    9.6049    2.9235   -1.0683 C   0  0  0  0  0
    8.2917    3.5157   -0.6999 C   0  0  0  0  0
    8.0899    4.6993   -0.5104 O   0  0  0  0  0
    7.1951    2.6043   -0.5519 N   0  0  0  0  0
    8.6419   -0.5974   -1.1311 N   0  0  0  0  0
    7.3971   -0.9560   -0.8880 C   0  0  0  0  0
    6.9638   -2.2304   -0.9505 N   0  0  0  0  0
    0.5773   -0.7651    0.7727 H   0  0  0  0  0
    0.3901    0.7257   -0.1500 H   0  0  0  0  0
    0.8385    0.8048    1.5722 H   0  0  0  0  0
    2.8304   -1.6187    1.3675 H   0  0  0  0  0
    5.2146   -1.6605    0.8507 H   0  0  0  0  0
    4.7403    1.9921   -1.4546 H   0  0  0  0  0
    2.3762    2.0400   -0.8597 H   0  0  0  0  0
   10.7006    1.1572   -1.4861 H   0  0  0  0  0
   10.4311    3.6134   -1.1817 H   0  0  0  0  0
    6.3101    2.9813   -0.2397 H   0  0  0  0  0
    7.6335   -2.8985   -1.3274 H   0  0  0  0  0
    6.0146   -2.4335   -1.2524 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  2  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 24  1  0  0  0
  7 25  1  0  0  0
  8 17  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 15  1  0  0  0
 10 11  1  0  0  0
 10 16  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 28  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 29  1  0  0  0
 18 30  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2195290

>  <PubChem CID>
58345674

>  <Formula>
C13H12N4O

>  <Molecular Weight>
240.266000

>  <IUPAC Name>
2-amino-3-(4-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=C(C=C1)N2C3=C(C=CC(=O)N3)N=C2N

>  <Isomeric SMILES>
CC1=CC=C(C=C1)N2C3=C(C=CC(=O)N3)N=C2N

>  <InChI Std. ID>
InChI=1S/C13H12N4O/c1-8-2-4-9(5-3-8)17-12-10(15-13(17)14)6-7-11(18)16-12/h2-7H,1H3,(H2,14,15)(H,16,18)

>  <InChI Key>
CTEHMLRERUEVBU-UHFFFAOYSA-N

