
 CHEMBL184850

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    5.5491   -2.2298   -2.1301 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL184850

>  <PubChem CID>
11164902

>  <Formula>
C22H32N6

>  <Molecular Weight>
380.540000

>  <IUPAC Name>
3-[5-(dimethylamino)-3-methylpyridin-2-yl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN(CCC)C1=CC(=NC2=C(C(=NN12)C)C3=NC=C(C=C3C)N(C)C)C

>  <Isomeric SMILES>
CCCN(CCC)C1=CC(=NC2=C(C(=NN12)C)C3=NC=C(C=C3C)N(C)C)C

>  <InChI Std. ID>
InChI=1S/C22H32N6/c1-8-10-27(11-9-2)19-13-16(4)24-22-20(17(5)25-28(19)22)21-15(3)12-18(14-23-21)26(6)7/h12-14H,8-11H2,1-7H3

>  <InChI Key>
AVIYBZJGACSQAF-UHFFFAOYSA-N

