121582291
  -OEChem-06192423262D

 28 29  0     0  0  0  0  0  0999 V2000
   10.1851    1.6876    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744   -0.8724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744    0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4580   -0.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -1.5426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -1.5426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.0927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.0927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.6876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.7424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0780   -0.0676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  4 24  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
121582291

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
299

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzoAAEAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB4AAAHgIYAAAADALBmyQtsJ7IEACqAjN3dACQhCsxgaAdUKAoRFiAKMBAyUFEhAgIHgLAQKAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(3-chloro-6-pyrazolo[1,5-a]pyrimidinyl)ethyl]-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(3-chloranylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H11ClN4O/c1-2-10(17)13-4-3-8-5-14-11-9(12)6-15-16(11)7-8/h2,5-7H,1,3-4H2,(H,13,17)

> <PUBCHEM_IUPAC_INCHIKEY>
ODVPPOGTILUWPJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
250.0621387

> <PUBCHEM_MOLECULAR_FORMULA>
C11H11ClN4O

> <PUBCHEM_MOLECULAR_WEIGHT>
250.68

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NCCC1=CN2C(=C(C=N2)Cl)N=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NCCC1=CN2C(=C(C=N2)Cl)N=C1

> <PUBCHEM_CACTVS_TPSA>
59.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
250.0621387

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
11  13  8
13  14  8
3  10  8
3  11  8
3  6  8
5  11  8
5  12  8
6  14  8
8  10  8
8  12  8

$$$$
