25801821
  -OEChem-05032423062D

 48 51  0     0  0  0  0  0  0999 V2000
   10.6279   -2.4632    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.6279   -0.7312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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  3  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
    3.7320   -0.5972    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   -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
    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
    9.1279   -1.5972    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
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 38  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  2  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 39  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 20  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 41  1  0  0  0  0
 21 24  1  0  0  0  0
 21 42  1  0  0  0  0
 22 25  2  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 26  2  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
M  CHG  2   1  -1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
25801821

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
483

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB8AAAHAAUAAAADCjBHwQ/8J/cWAChAzZnZwCCgC0xEqAp2KA4dJqIaOLAmZGUIAhokALIyCcQgIAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H22N4O2/c1-14-7-12-18-22-19(15-8-10-17(11-9-15)24(25)26)20(23(18)13-14)21-16-5-3-2-4-6-16/h7-13,16,21H,2-6H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
GVFAVXZTDKXHJS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.7

> <PUBCHEM_EXACT_MASS>
350.17427596

> <PUBCHEM_MOLECULAR_FORMULA>
C20H22N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
350.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC=C(C=C4)[N+](=O)[O-])C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CN2C(=NC(=C2NC3CCCCC3)C4=CC=C(C=C4)[N+](=O)[O-])C=C1

> <PUBCHEM_CACTVS_TPSA>
75.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.17427596

> <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>
13  14  8
15  18  8
16  19  8
17  21  8
17  22  8
18  20  8
19  20  8
21  24  8
22  25  8
24  26  8
25  26  8
4  13  8
4  15  8
4  16  8
5  14  8
5  15  8

$$$$