3058746
  -OEChem-05092408342D

 44 46  0     0  0  0  0  0  0999 V2000
    9.2619   -2.4446    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.2117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.0550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.2493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    1.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639    1.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426   -0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746    2.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -3.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067    3.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -3.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5359   -0.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3715   -0.2014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4170    2.0418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5814    1.2619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2147    0.4554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7359   -0.2791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4704   -0.7579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8215    2.4083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571    3.1882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.2546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -1.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -3.8476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    3.8587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1927    3.9061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1453    3.0305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -1.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -3.8476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 11  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 19  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 12 17  2  0  0  0  0
 12 29  1  0  0  0  0
 13 16  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 18  2  0  0  0  0
 15 33  1  0  0  0  0
 16 21  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 22  1  0  0  0  0
 19 38  1  0  0  0  0
 20 23  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 24  2  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3058746

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
425

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgIAAAAADArBnyQ/sJ8MGACoAzd3dACCgC0xF6AJ2CE4dpiIaPLB25GUIAhohgLIyCcQgIAOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-butanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[2-(4-chlorophenyl)-3-imidazo[1,2-a]pyridinyl]methyl]-N-methylbutanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-<I>N</I>-methylbutanamide

> <PUBCHEM_IUPAC_NAME>
N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-butanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-butyramide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
LIFDPEORUVTOCP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
341.1294900

> <PUBCHEM_MOLECULAR_FORMULA>
C19H20ClN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
341.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC(=O)N(C)CC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC(=O)N(C)CC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
37.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
341.1294900

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
10  19  8
10  20  8
12  17  8
15  18  8
17  18  8
19  22  8
20  23  8
22  24  8
23  24  8
3  12  8
3  6  8
3  9  8
5  8  8
5  9  8
6  8  8
9  15  8

$$$$