51359969
  -OEChem-05082423082D

 41 44  0     0  0  0  0  0  0999 V2000
    6.8726    3.0724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4477   -1.2634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -2.8772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192    0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2298    1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9407    0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4477   -2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5620    2.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2728    0.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3988   -2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5835    1.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3988   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1339   -0.6092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9696    0.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.6924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.8824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8365    1.5055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7480   -0.3684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2562   -3.4711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6661    0.8373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9004   -2.9369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1694    2.3772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9004   -1.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.5355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.6094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 13  1  0  0  0  0
  2 25  1  0  0  0  0
  3 20  1  0  0  0  0
  3 26  1  0  0  0  0
  4 20  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 12  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 29  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 16  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 31  1  0  0  0  0
 17 21  1  0  0  0  0
 17 32  1  0  0  0  0
 18 22  2  0  0  0  0
 18 33  1  0  0  0  0
 19 23  1  0  0  0  0
 19 34  1  0  0  0  0
 21 24  2  0  0  0  0
 22 24  1  0  0  0  0
 22 35  1  0  0  0  0
 23 25  2  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
 26 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
51359969

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
505

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MQAAAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAFgB/AAAHwAAAAAADAzhnw4/vJ8MHECoA7737ASCiC03MqAJ2CG+fNiObvrEvbuXOajuwBPY6eeY2fOeAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H15FN2O3/c1-25-20(24)14-7-8-18-22-19(17-6-3-9-26-17)16(23(18)12-14)11-13-4-2-5-15(21)10-13/h2-10,12H,11H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
XCXRKNYLLJVANZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
350.10667051

> <PUBCHEM_MOLECULAR_FORMULA>
C20H15FN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
350.3

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

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

> <PUBCHEM_CACTVS_TPSA>
56.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.10667051

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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
12  17  8
12  18  8
13  19  8
14  16  8
15  16  8
17  21  8
18  22  8
19  23  8
2  13  8
2  25  8
21  24  8
22  24  8
23  25  8
5  10  8
5  11  8
5  7  8
6  10  8
6  9  8
7  9  8

$$$$