3240115
  -OEChem-04182401032D

 38 40  0     0  0  0  0  0  0999 V2000
    9.2619   -2.4446    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639    1.7498    0.0000 O   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
    4.9889   -0.6893    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
    2.0000   -2.9446    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
    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
    2.8660   -1.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.0550    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
    6.7619   -3.3106    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
    2.0000   -1.9446    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
    7.7619   -3.3106    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
    8.2619   -2.4446    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
    3.6067    3.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5956   -0.5615    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
    3.7742    0.3470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9385   -0.4330    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
    6.4519   -3.8476    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
    1.4631   -1.6346    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
    8.0719   -1.0416    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
    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
  1 21  1  0  0  0  0
  2 18  1  0  0  0  0
  2 22  1  0  0  0  0
  3 18  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 14  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  1  0  0  0  0
 15 29  1  0  0  0  0
 16 20  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 19 21  2  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3240115

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
404

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7sQAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHwAQAAAADAjhnw4/uJ/MHACoAzb3bACCgC0xEqAJ2KC4dJiKaOLAmTGXIAhogALYyCcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethyl 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[2-(4-fluorophenyl)-3-imidazo[1,2-a]pyrazinyl]amino]acetic acid ethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethyl 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate

> <PUBCHEM_IUPAC_NAME>
ethyl 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethyl 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid ethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H15FN4O2/c1-2-23-14(22)10-19-16-15(11-3-5-12(17)6-4-11)20-13-9-18-7-8-21(13)16/h3-9,19H,2,10H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
FOVDXYCZMKFQPM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
314.11790390

> <PUBCHEM_MOLECULAR_FORMULA>
C16H15FN4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
314.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC(=O)CNC1=C(N=C2N1C=CN=C2)C3=CC=C(C=C3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC(=O)CNC1=C(N=C2N1C=CN=C2)C3=CC=C(C=C3)F

> <PUBCHEM_CACTVS_TPSA>
68.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
314.11790390

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  14  8
11  15  8
11  16  8
12  17  8
15  19  8
16  20  8
19  21  8
20  21  8
4  10  8
4  12  8
4  8  8
6  10  8
6  9  8
7  14  8
7  17  8
8  9  8

$$$$