49778889
  -OEChem-05092400312D

 60 64  0     0  0  0  0  0  0999 V2000
   13.3188    2.8338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.2156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7404   -1.0891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.2844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7404    0.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0511    1.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3241   -0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0296    1.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3833    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3403    2.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6939    3.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6724    3.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6294    3.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.2407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.2407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    3.1080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    3.7982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    2.3233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.6330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    4.1906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    4.1906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.2526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.0256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.1787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.4056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.0256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.3356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -1.0944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9441   -0.2844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.5944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4437    1.2156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7766    2.0873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2799    3.6272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8650    3.9612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -2.4744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2188    3.5918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8221    4.3737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0401    3.9770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  1 33  1  0  0  0  0
  2 32  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 23  1  0  0  0  0
  6 21  2  0  0  0  0
  6 26  1  0  0  0  0
  7 24  1  0  0  0  0
  7 32  1  0  0  0  0
  7 52  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 11  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 18  1  0  0  0  0
 14 45  1  0  0  0  0
 15 19  2  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 22  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 22 50  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 51  1  0  0  0  0
 27 29  1  0  0  0  0
 27 53  1  0  0  0  0
 28 30  2  0  0  0  0
 28 54  1  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
 32 57  1  0  0  0  0
 33 58  1  0  0  0  0
 33 59  1  0  0  0  0
 33 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49778889

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
634

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB9AAAHgAQAAAADAzBnwY/9p/MHACoAzZn9ACCiC0xMqAJ2KA+fJiMbuLEuZuUMChs1BPI6Cew0PIOiAABAAAAAAAQAAIAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-(3-methoxyphenyl)-6-[4-(4-methyl-1-piperazinyl)phenyl]-8-imidazo[1,2-a]pyridinyl]formamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide

> <PUBCHEM_IUPAC_NAME>
N-[3-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-(3-methoxyphenyl)-6-[4-(4-methylpiperazino)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H27N5O2/c1-29-10-12-30(13-11-29)22-8-6-19(7-9-22)21-15-24(28-18-32)26-27-16-25(31(26)17-21)20-4-3-5-23(14-20)33-2/h3-9,14-18H,10-13H2,1-2H3,(H,28,32)

> <PUBCHEM_IUPAC_INCHIKEY>
FSAWBYHXWPKNFM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
441.21647512

> <PUBCHEM_MOLECULAR_FORMULA>
C26H27N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
441.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCN(CC1)C2=CC=C(C=C2)C3=CN4C(=CN=C4C(=C3)NC=O)C5=CC(=CC=C5)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCN(CC1)C2=CC=C(C=C2)C3=CN4C(=CN=C4C(=C3)NC=O)C5=CC(=CC=C5)OC

> <PUBCHEM_CACTVS_TPSA>
62.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
441.21647512

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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  14  8
12  15  8
14  18  8
15  19  8
16  18  8
16  19  8
17  20  8
17  22  8
21  24  8
22  24  8
23  26  8
25  27  8
25  28  8
27  29  8
28  30  8
29  31  8
30  31  8
5  20  8
5  21  8
5  23  8
6  21  8
6  26  8

$$$$