70197324
  -OEChem-05102408532D

 55 58  0     1  0  0  0  0  0999 V2000
    4.5981    1.0000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -2.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -3.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350   -1.6060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3460   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    4.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    3.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  1 14  1  0  0  0  0
  2 14  2  0  0  0  0
  2 26  1  0  0  0  0
  3 21  1  0  0  0  0
  3 25  1  0  0  0  0
  3 48  1  0  0  0  0
  4 23  2  0  0  0  0
  4 24  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  2  0  0  0  0
  6 26  2  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 16  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 34  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 22  1  0  0  0  0
 15 20  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 21 24  2  0  0  0  0
 22 27  2  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70197324

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
516

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/gAAHAAQAAAADAjBHwQ/8L/JkACgAzZnZACCgC2xEqAJ2SA4dJiIaOLA2dGUJAhokALIyCcQgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-methyl-N-[[2-methyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenyl]methyl]-N-propyl-pyrimidin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
2-methyl-N-[[2-methyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenyl]methyl]-N-propyl-4-pyrimidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-methyl-<I>N</I>-[[2-methyl-5-(2-methyl-1<I>H</I>-imidazo[4,5-b]pyridin-6-yl)phenyl]methyl]-<I>N</I>-propylpyrimidin-4-amine

> <PUBCHEM_IUPAC_NAME>
2-methyl-N-[[2-methyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenyl]methyl]-N-propylpyrimidin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-methyl-N-[[2-methyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenyl]methyl]-N-propyl-pyrimidin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-methyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzyl]-(2-methylpyrimidin-4-yl)-propyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H26N6/c1-5-10-29(22-8-9-24-16(3)27-22)14-20-11-18(7-6-15(20)2)19-12-21-23(25-13-19)28-17(4)26-21/h6-9,11-13H,5,10,14H2,1-4H3,(H,25,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
PMVNGYYMUFXVGN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
386.22189485

> <PUBCHEM_MOLECULAR_FORMULA>
C23H26N6

> <PUBCHEM_MOLECULAR_WEIGHT>
386.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN(CC1=C(C=CC(=C1)C2=CC3=C(N=C2)N=C(N3)C)C)C4=NC(=NC=C4)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN(CC1=C(C=CC(=C1)C2=CC3=C(N=C2)N=C(N3)C)C)C4=NC(=NC=C4)C

> <PUBCHEM_CACTVS_TPSA>
70.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
386.22189485

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  16  8
11  12  8
12  17  8
14  22  8
15  20  8
15  23  8
16  17  8
2  14  8
2  26  8
20  21  8
21  24  8
22  27  8
3  21  8
3  25  8
4  23  8
4  24  8
5  24  8
5  25  8
6  26  8
6  27  8
8  10  8
8  11  8

$$$$