60006791
  -OEChem-05142400432D

 48 52  0     0  0  0  0  0  0999 V2000
    9.2619   -2.3434    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    0.7748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.3129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6783   -3.1481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    1.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5189    2.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2619   -2.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2619   -2.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -3.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -3.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9547    1.6294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6467    1.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1356    2.0965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5208    2.9510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5194    2.1213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1371    2.9668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6505    3.6390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8232    3.9093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0337    3.6543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6707    0.3134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -0.8434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    1.5682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.1534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -3.7463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -0.9404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -3.7463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -0.9404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  2 38  1  0  0  0  0
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  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 21  1  0  0  0  0
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  5 18  2  0  0  0  0
  6 17  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
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 22 23  1  0  0  0  0
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 23 44  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
60006791

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
505

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gQAAAAAAAAAAAAAAAAAAAeIAAAA8WIAAAAAAAFgB/AAAHQAYAAAADCjBHgw98LbIEACiAzZnZACShCkxgqAZ2KA4ZJiIKOLA2dGEpAhomALIyCcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclopentyl-6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclopentyl-6-[2-(4-fluorophenyl)-3-pyrazolo[1,5-a]pyridinyl]-4-pyrimidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclopentyl-6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine

> <PUBCHEM_IUPAC_NAME>
N-cyclopentyl-6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclopentyl-6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclopentyl-[6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H20FN5/c23-16-10-8-15(9-11-16)22-21(19-7-3-4-12-28(19)27-22)18-13-20(25-14-24-18)26-17-5-1-2-6-17/h3-4,7-14,17H,1-2,5-6H2,(H,24,25,26)

> <PUBCHEM_IUPAC_INCHIKEY>
XXWZBTYERUPUIX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
373.17027382

> <PUBCHEM_MOLECULAR_FORMULA>
C22H20FN5

> <PUBCHEM_MOLECULAR_WEIGHT>
373.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(C1)NC2=NC=NC(=C2)C3=C4C=CC=CN4N=C3C5=CC=C(C=C5)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(C1)NC2=NC=NC(=C2)C3=C4C=CC=CN4N=C3C5=CC=C(C=C5)F

> <PUBCHEM_CACTVS_TPSA>
55.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
373.17027382

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
12  13  8
13  14  8
15  16  8
15  17  8
16  20  8
19  24  8
19  25  8
20  22  8
21  23  8
22  23  8
24  26  8
25  27  8
26  28  8
27  28  8
3  12  8
3  18  8
4  16  8
4  21  8
4  6  8
5  14  8
5  18  8
6  17  8

$$$$