null
  CDK     0225161900
null
 26 29  0  0  0  0  0  0  0  0999 V2000
    2.7845    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6123    3.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287    4.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9431    4.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7681    4.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2825    4.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0989    3.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536   -0.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1014   -1.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -1.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4604   -0.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054   -0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7575    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5644    0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  4  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  2  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 11  1  0  0  0  0 
  6 18  1  0  0  0  0 
  5 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 19  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  END
> <ID>
CHEBI:115673

> <NAME>
7-(1-azepanyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

> <STAR>
2

> <FORMULA>
C21H26N4O

> <MASS>
350.458

> <MONOISOTOPIC_MASS>
350.21066

> <CHARGE>
0

> <SMILES>
CC1=NC2=C(C(=NN2C(=C1)N3CCCCCC3)C)C4=CC=CC=C4OC

> <INCHI>
InChI=1S/C21H26N4O/c1-15-14-19(24-12-8-4-5-9-13-24)25-21(22-15)20(16(2)23-25)17-10-6-7-11-18(17)26-3/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3

> <INCHIKEY>
IXHRPSIJGXCIOH-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-27130

$$$$