24793037
  -OEChem-05052416122D

 55 59  0     0  0  0  0  0  0999 V2000
    7.2371   -3.9506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.4632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.1349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8770   -2.2564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2564   -1.2394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5898   -3.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6388   -3.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467   -4.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5680   -3.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8551   -2.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5983   -2.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    3.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4643   -2.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    4.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8713   -3.9678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4519   -0.8058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7251   -2.4923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0192   -3.1279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2718   -4.3167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1752   -4.6102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793   -0.4809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695   -0.8795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7368    0.1986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7368    0.9957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7869    0.9957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7869    0.1986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445    1.6752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542    2.0738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445    2.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    2.9398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4621   -1.7956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5335   -3.3342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    0.9351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0307   -2.4698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783    3.8918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815    4.6738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    4.2771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.9492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.1392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.5192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  4 45  1  0  0  0  0
  5 21  2  0  0  0  0
  6 18  1  0  0  0  0
  6 23  1  0  0  0  0
  6 47  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  7 29  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 16 18  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 46  1  0  0  0  0
 20 22  1  0  0  0  0
 20 24  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 27  1  0  0  0  0
 25 52  1  0  0  0  0
 26 28  1  0  0  0  0
 26 53  1  0  0  0  0
 27 28  2  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24793037

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
559

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAGAAAAWLAAAA8QAAAAAAAAFgB/AAAHgAYAAAADSjBngQ/8PPJkACqAzd3dACShCMhgiAd2SE4ZJiIYPLA2dGUpAh4nQLIyAcQgMAOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]-4-piperidyl]pyrazol-3-yl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]-4-piperidinyl]-3-pyrazolyl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-[1-[(3-methyl-1<I>H</I>-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]-4-piperidyl]pyrazol-3-yl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H27N5O/c1-15-18-4-2-3-5-19(18)24-20(15)14-26-12-9-17(10-13-26)27-21(8-11-23-27)25-22(28)16-6-7-16/h2-5,8,11,16-17,24H,6-7,9-10,12-14H2,1H3,(H,25,28)

> <PUBCHEM_IUPAC_INCHIKEY>
GMMZBXFKXKCYJA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
377.22156050

> <PUBCHEM_MOLECULAR_FORMULA>
C22H27N5O

> <PUBCHEM_MOLECULAR_WEIGHT>
377.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(NC2=CC=CC=C12)CN3CCC(CC3)N4C(=CC=N4)NC(=O)C5CC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(NC2=CC=CC=C12)CN3CCC(CC3)N4C(=CC=N4)NC(=O)C5CC5

> <PUBCHEM_CACTVS_TPSA>
66

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
377.22156050

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
17  19  8
18  20  8
19  21  8
20  22  8
22  23  8
22  25  8
23  26  8
25  27  8
26  28  8
27  28  8
3  17  8
3  5  8
5  21  8
6  18  8
6  23  8

$$$$