24791520
  -OEChem-05142407592D

 56 60  0     1  0  0  0  0  0999 V2000
   12.2309   -1.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2127    2.1581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.9603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.6377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8551    2.5513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9255    0.9991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.6311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2564    1.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5728    0.4639    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2619   -1.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5673    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3649   -0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9037    1.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4643    2.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9741   -0.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5983    3.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4519    1.3086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695    1.3823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    0.9838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7368   -0.4928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7368    0.3042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7869    0.3042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7869   -0.4928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -1.5709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445   -1.1724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -2.4369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445   -2.0384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9739    0.3034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1570    0.7600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4384    1.1749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7339    0.4095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7752   -0.3227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1127   -1.0807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0307    2.9726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3385   -0.8467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5110   -0.0351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -3.2204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -0.4323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5335    3.8370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 21  1  0  0  0  0
  2 19  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5 23  2  0  0  0  0
  6 14  1  0  0  0  0
  6 19  1  0  0  0  0
  6 44  1  0  0  0  0
  7 16  1  0  0  0  0
  7 24  1  0  0  0  0
  7 50  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 16  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 20  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 41  1  0  0  0  0
 16 22  2  0  0  0  0
 17 21  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 20 23  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 25  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 53  1  0  0  0  0
 27 29  1  0  0  0  0
 27 54  1  0  0  0  0
 28 29  2  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24791520

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
567

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAFgB/AAAHgAYAAAADSjhngY98PPJlACqAzd3dACShCMhgiAd2SE4ZJiIYPbA2dGWpAh+vQLIyAcygIAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-[1-(1H-indol-2-ylmethyl)-4-piperidyl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-[1-(1H-indol-2-ylmethyl)-4-piperidinyl]-3-pyrazolyl]-3-oxolanecarboxamide

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

> <PUBCHEM_IUPAC_NAME>
N-[2-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-[1-(1H-indol-2-ylmethyl)-4-piperidyl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H27N5O2/c28-22(17-8-12-29-15-17)25-21-5-9-23-27(21)19-6-10-26(11-7-19)14-18-13-16-3-1-2-4-20(16)24-18/h1-5,9,13,17,19,24H,6-8,10-12,14-15H2,(H,25,28)

> <PUBCHEM_IUPAC_INCHIKEY>
NBQFIHPYFFMOEU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
393.21647512

> <PUBCHEM_MOLECULAR_FORMULA>
C22H27N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
393.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CCC1N2C(=CC=N2)NC(=O)C3CCOC3)CC4=CC5=CC=CC=C5N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CCC1N2C(=CC=N2)NC(=O)C3CCOC3)CC4=CC5=CC=CC=C5N4

> <PUBCHEM_CACTVS_TPSA>
75.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
393.21647512

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
14  20  8
15  19  3
16  22  8
20  23  8
22  25  8
24  25  8
24  26  8
25  27  8
26  28  8
27  29  8
28  29  8
4  14  8
4  5  8
5  23  8
7  16  8
7  24  8

$$$$