68828364
  -OEChem-04262405592D

 57 61  0     0  0  0  0  0  0999 V2000
    5.4641   -2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065    1.7553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1901    2.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065    3.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    2.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    2.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7991    1.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7991    3.9540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4 21  1  0  0  0  0
  4 24  1  0  0  0  0
  4 48  1  0  0  0  0
  5 21  1  0  0  0  0
  5 26  2  0  0  0  0
  6 23  1  0  0  0  0
  6 54  1  0  0  0  0
  6 55  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 56  1  0  0  0  0
  8 32  2  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 12  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 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 19  2  0  0  0  0
 16 44  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 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 46  1  0  0  0  0
 22 25  2  0  0  0  0
 22 47  1  0  0  0  0
 24 27  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 29 52  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 53  1  0  0  0  0
 32 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68828364

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
640

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB/AAAHgAYAAAADAjBngQ/8PPrEACqAzd3dACShCk1giAZ+SE4ZNiIYPLA3dGUpQhomALIyacciMCOyAAAQAQCAACQAACACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[2-(1H-indazol-6-ylamino)-3-pyridyl]-3-(4-methylpiperazin-1-yl)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-[2-(1H-indazol-6-ylamino)-3-pyridinyl]-3-(4-methyl-1-piperazinyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[2-(1<I>H</I>-indazol-6-ylamino)pyridin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide

> <PUBCHEM_IUPAC_NAME>
4-[2-(1H-indazol-6-ylamino)pyridin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[2-(1H-indazol-6-ylamino)pyridin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[2-(1H-indazol-6-ylamino)-3-pyridyl]-3-(4-methylpiperazino)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H25N7O/c1-30-9-11-31(12-10-30)22-13-16(23(25)32)5-7-19(22)20-3-2-8-26-24(20)28-18-6-4-17-15-27-29-21(17)14-18/h2-8,13-15H,9-12H2,1H3,(H2,25,32)(H,26,28)(H,27,29)

> <PUBCHEM_IUPAC_INCHIKEY>
PMLQXQGNIKURAB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
427.21205845

> <PUBCHEM_MOLECULAR_FORMULA>
C24H25N7O

> <PUBCHEM_MOLECULAR_WEIGHT>
427.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)C(=O)N)C3=C(N=CC=C3)NC4=CC5=C(C=C4)C=NN5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)C(=O)N)C3=C(N=CC=C3)NC4=CC5=C(C=C4)C=NN5

> <PUBCHEM_CACTVS_TPSA>
103

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
427.21205845

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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
13  16  8
14  18  8
16  19  8
17  21  8
17  22  8
18  20  8
19  20  8
22  25  8
24  27  8
24  29  8
25  26  8
27  28  8
28  30  8
29  31  8
30  31  8
30  32  8
5  21  8
5  26  8
7  28  8
7  8  8
8  32  8

$$$$