809076
  -OEChem-04252406062D

 50 53  0     0  0  0  0  0  0999 V2000
    9.1279   -2.9632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.0359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    1.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    2.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2086    1.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    2.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408    1.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514    2.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -2.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9945    0.6791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0447    1.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8803    2.7068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6822    0.7345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399    0.4869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3563    3.2908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5987    3.5385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9938    2.0985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1582    1.3186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8309    3.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2376    2.8443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4616    0.6519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -2.6341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    0.1718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.3058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379    0.1718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7479   -1.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -3.5832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7479   -2.9632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -2.3432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 25  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  2 37  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 38  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 18  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 40  1  0  0  0  0
 19 22  1  0  0  0  0
 19 41  1  0  0  0  0
 20 23  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
809076

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
425

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB8AAAHgAQAAAADCzBnwY/tp/MHACgAzZnZACCiC0xMqAJ2KA+fJiMbuLEuZuUMChs0BPI6Cew0LIOAAABAAAAAAAAAAIAAAAAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclohexyl-[2-(3-methoxyphenyl)-6-methyl-imidazo[1,2-a]pyridin-3-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H25N3O/c1-15-11-12-19-23-20(16-7-6-10-18(13-16)25-2)21(24(19)14-15)22-17-8-4-3-5-9-17/h6-7,10-14,17,22H,3-5,8-9H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
XWICHVTVSMTBJH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.9

> <PUBCHEM_EXACT_MASS>
335.199762429

> <PUBCHEM_MOLECULAR_FORMULA>
C21H25N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
335.4

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

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

> <PUBCHEM_CACTVS_TPSA>
38.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
335.199762429

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  17  8
15  19  8
15  20  8
16  18  8
17  18  8
19  22  8
20  23  8
22  24  8
23  24  8
3  11  8
3  13  8
3  14  8
4  12  8
4  13  8

$$$$