5104845
  -OEChem-05132417102D

 54 57  0     0  0  0  0  0  0999 V2000
    9.1279   -2.5302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -0.7982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.9571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.6029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    1.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    2.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2086    1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    3.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408    2.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -1.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    0.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -1.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    0.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -0.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -3.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279    0.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9945    1.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0447    2.3599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8803    3.1398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6822    1.1676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399    0.9199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3563    3.7239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5987    3.9715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9938    2.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1582    1.7516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8309    3.8097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2376    3.2774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4616    1.0850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -2.2011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    0.6048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379    0.6048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0910   -3.0862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3179   -3.9332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648   -3.7062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1648   -0.2421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9379    0.6048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0910    0.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 26  1  0  0  0  0
  2 25  1  0  0  0  0
  2 27  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 39  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  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 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 40  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 19  2  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 42  1  0  0  0  0
 20 23  1  0  0  0  0
 20 43  1  0  0  0  0
 21 24  2  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5104845

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
471

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB8AAAHgAQAAAADCzBnwY/tp/MHACgAzZnZACCiC0xMqAJ2KA+/JiNbuLEuZuUMCps0BPK6Cew0LMOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H27N3O2/c1-15-9-12-20-24-21(16-10-11-18(26-2)19(13-16)27-3)22(25(20)14-15)23-17-7-5-4-6-8-17/h9-14,17,23H,4-8H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
KMEYZQWIGFUXKD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.9

> <PUBCHEM_EXACT_MASS>
365.21032711

> <PUBCHEM_MOLECULAR_FORMULA>
C22H27N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
365.5

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

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

> <PUBCHEM_CACTVS_TPSA>
47.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
365.21032711

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
12  13  8
14  17  8
15  18  8
16  20  8
16  21  8
17  19  8
18  19  8
20  23  8
21  24  8
23  25  8
24  25  8
4  12  8
4  14  8
4  15  8
5  13  8
5  14  8

$$$$