51359032
  -OEChem-04262403202D

 41 44  0     0  0  0  0  0  0999 V2000
    9.4477   -0.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -2.4019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9407    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2298    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4477   -2.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2728    1.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5620    2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3988   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3988   -1.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5835    2.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1339   -0.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9696    0.6460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.4072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7480    0.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8365    1.9807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2562   -2.9959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6661    1.3126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7546    3.1865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9004   -2.4616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9004   -0.7328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1694    2.8524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.0603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.1341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 23  1  0  0  0  0
  2 19  1  0  0  0  0
  2 25  1  0  0  0  0
  3 19  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 28  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 15  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 30  1  0  0  0  0
 16 20  1  0  0  0  0
 16 31  1  0  0  0  0
 17 21  2  0  0  0  0
 17 32  1  0  0  0  0
 18 22  1  0  0  0  0
 18 33  1  0  0  0  0
 20 24  2  0  0  0  0
 20 34  1  0  0  0  0
 21 24  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
51359032

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
466

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAFgB/AAAHgAAAAAADAzhnwY/vJ8MHECoA7737ASCiC03MqAJ2CG+fNiObvrEvbuXOajuwBPY6eeY2fOeAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl 3-benzyl-2-(2-furyl)imidazo[1,2-a]pyridine-6-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-furanyl)-3-(phenylmethyl)-6-imidazo[1,2-a]pyridinecarboxylic acid methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
methyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate

> <PUBCHEM_IUPAC_NAME>
methyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl 2-(furan-2-yl)-3-(phenylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-benzyl-2-(2-furyl)imidazo[1,2-a]pyridine-6-carboxylic acid methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H16N2O3/c1-24-20(23)15-9-10-18-21-19(17-8-5-11-25-17)16(22(18)13-15)12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZGMICCNAMSFFCO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
332.11609238

> <PUBCHEM_MOLECULAR_FORMULA>
C20H16N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
332.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC(=O)C1=CN2C(=NC(=C2CC3=CC=CC=C3)C4=CC=CO4)C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC(=O)C1=CN2C(=NC(=C2CC3=CC=CC=C3)C4=CC=CO4)C=C1

> <PUBCHEM_CACTVS_TPSA>
56.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
332.11609238

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
1  12  8
1  23  8
10  14  8
11  16  8
11  17  8
12  18  8
13  15  8
14  15  8
16  20  8
17  21  8
18  22  8
20  24  8
21  24  8
22  23  8
4  10  8
4  6  8
4  9  8
5  8  8
5  9  8
6  8  8
9  13  8

$$$$