856602
  -OEChem-05062403092D

 46 49  0     0  0  0  0  0  0999 V2000
    5.8550    0.2658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.2942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    1.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3967    1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1924    0.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5316    2.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7873    1.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -2.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -2.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -1.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -1.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7863    1.1696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9860    1.7953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6499    2.5539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6024    0.7168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3203    0.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8968    2.9904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0715    2.9051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4237    2.3238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2498    1.5125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4616    0.3937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.6794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -2.8924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -0.0865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.9525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.7994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.0264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -2.8924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -0.0865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -2.1094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7479   -1.4894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -0.8694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  1 33  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  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  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 16  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 36  1  0  0  0  0
 17 20  1  0  0  0  0
 17 37  1  0  0  0  0
 18 21  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  2  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  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
M  END
> <PUBCHEM_COMPOUND_CID>
856602

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
384

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAAAAAAAAAAAAAAAAAAAeIAAAA8QAAAAAAAAFgB8AAAHAAQAAAADCjBHwQ/sJ/MGACgAzZnZACCgC0xEqAJ2KA4dJiIaOLAmZGUIAhokALIyCcQgMAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclopentyl-7-methyl-2-(p-tolyl)imidazo[1,2-a]pyridin-3-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclopentyl-7-methyl-2-(4-methylphenyl)-3-imidazo[1,2-a]pyridinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclopentyl-7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine

> <PUBCHEM_IUPAC_NAME>
N-cyclopentyl-7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclopentyl-7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclopentyl-[7-methyl-2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H23N3/c1-14-7-9-16(10-8-14)19-20(21-17-5-3-4-6-17)23-12-11-15(2)13-18(23)22-19/h7-13,17,21H,3-6H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
LFUWQHOSVGSGGY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.7

> <PUBCHEM_EXACT_MASS>
305.189197746

> <PUBCHEM_MOLECULAR_FORMULA>
C20H23N3

> <PUBCHEM_MOLECULAR_WEIGHT>
305.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)C2=C(N3C=CC(=CC3=N2)C)NC4CCCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)C2=C(N3C=CC(=CC3=N2)C)NC4CCCC4

> <PUBCHEM_CACTVS_TPSA>
29.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
305.189197746

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  14  8
12  17  8
12  18  8
13  16  8
14  15  8
15  16  8
17  20  8
18  21  8
2  11  8
2  13  8
2  9  8
20  22  8
21  22  8
3  10  8
3  11  8
9  10  8

$$$$