809033
  -OEChem-05072423002D

 54 57  0     0  0  0  0  0  0999 V2000
    5.8550    0.1581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.4019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -1.5972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2086    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408    1.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514    2.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -2.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -2.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -2.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9945    0.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0447    1.5609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8803    2.3408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6822    0.3685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399    0.1209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3563    2.9248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5987    3.1724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9938    1.7325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1582    0.9525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8309    3.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2376    2.4783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4616    0.2859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.4072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -3.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -0.1942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.0603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.1341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -3.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -0.1942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0910   -2.7732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9379   -3.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1648   -2.1532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1648   -1.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9379   -0.1942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0910   -0.4212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  1 38  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  2  0  0  0  0
  4 22  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 17  2  0  0  0  0
 15 39  1  0  0  0  0
 16 18  2  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 41  1  0  0  0  0
 19 23  1  0  0  0  0
 19 42  1  0  0  0  0
 20 24  2  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
809033

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
439

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB8AAAHAAQAAAADCjBHwQ/8J/MGACgAzZnZACCgC0xEqAJ2KA4dJiIaOLAmZGUIAhokALIyCcQgIAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclohexyl-2-[4-(dimethylamino)phenyl]-6-methyl-imidazo[1,2-a]pyridin-3-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclohexyl-2-[4-(dimethylamino)phenyl]-6-methyl-3-imidazo[1,2-a]pyridinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclohexyl-2-[4-(dimethylamino)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine

> <PUBCHEM_IUPAC_NAME>
N-cyclohexyl-2-[4-(dimethylamino)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclohexyl-2-[4-(dimethylamino)phenyl]-6-methyl-imidazo[1,2-a]pyridin-3-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-[3-(cyclohexylamino)-6-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl]-dimethyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H28N4/c1-16-9-14-20-24-21(17-10-12-19(13-11-17)25(2)3)22(26(20)15-16)23-18-7-5-4-6-8-18/h9-15,18,23H,4-8H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
FCUOVHYMWRJGNR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6

> <PUBCHEM_EXACT_MASS>
348.23139691

> <PUBCHEM_MOLECULAR_FORMULA>
C22H28N4

> <PUBCHEM_MOLECULAR_WEIGHT>
348.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC=C(C=C4)N(C)C)C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC=C(C=C4)N(C)C)C=C1

> <PUBCHEM_CACTVS_TPSA>
32.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
348.23139691

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
11  12  8
13  16  8
14  19  8
14  20  8
15  17  8
16  18  8
17  18  8
19  23  8
2  11  8
2  13  8
2  15  8
20  24  8
22  23  8
22  24  8
3  12  8
3  13  8

$$$$