
 CHEMBL3670941

 69 73  0  0  0  0  0  0  0  0999 V2000
    0.0516    3.3458   -4.2512 C   0  0  0  0  0
   -0.0066    3.1600   -2.7403 C   0  0  0  0  0
    1.2622    2.6740   -2.1073 C   0  0  0  0  0
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    0.2397   -6.7249   -1.0170 H   0  0  0  0  0
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    0.7020   -6.7428    1.4011 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3670941

>  <PubChem CID>
68379121

>  <Formula>
C27H34N8

>  <Molecular Weight>
470.625000

>  <IUPAC Name>
2-ethyl-5,7-dimethyl-3-[[4-[(E)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]prop-1-enyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)C=CCN4CCC(CC4)C5=NN=NN5C)C)C

>  <Isomeric SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)/C=C/CN4CCC(CC4)C5=NN=NN5C)C)C

>  <InChI Std. ID>
InChI=1S/C27H34N8/c1-5-25-24(27-28-19(2)17-20(3)35(27)30-25)18-22-10-8-21(9-11-22)7-6-14-34-15-12-23(13-16-34)26-29-31-32-33(26)4/h6-11,17,23H,5,12-16,18H2,1-4H3/b7-6+

>  <InChI Key>
VTIUECBQDXKJEP-VOTSOKGWSA-N

