54897
  -OEChem-04252409472D

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    4.2830    2.0418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0901    1.1243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
54897

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
478

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAGAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgIAAAAADArBnyQ/sJ8MGACoAzd3dACCgC0xF6AJ2CE4dpiIaPrB35HUIAhohgLIyCcciICOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropyl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[6-chloro-2-(4-chlorophenyl)-3-imidazo[1,2-a]pyridinyl]-N,N-dipropylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-<I>N</I>,<I>N</I>-dipropylacetamide

> <PUBCHEM_IUPAC_NAME>
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[6-chloranyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
JRTIDHTUMYMPRU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4.8

> <PUBCHEM_EXACT_MASS>
403.1218178

> <PUBCHEM_MOLECULAR_FORMULA>
C21H23Cl2N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
404.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN(CCC)C(=O)CC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN(CCC)C(=O)CC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
37.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
403.1218178

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
15  18  8
16  23  8
16  24  8
17  21  8
18  22  8
21  22  8
23  25  8
24  26  8
25  27  8
26  27  8
5  15  8
5  17  8
5  7  8
6  12  8
6  15  8
7  12  8

$$$$