
 MLS001199098

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M  END

>  <Chemical Name>
MLS001199098

>  <PubChem CID>
23603500

>  <Formula>
C25H35N5O

>  <Molecular Weight>
421.589000

>  <IUPAC Name>
N-[2-(diethylamino)ethyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]propanamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN(CC)CCNC(=O)CCC1=C(N=C2C(=C1C)C(=NN2C3=CC=C(C=C3)C)C)C

>  <Isomeric SMILES>
CCN(CC)CCNC(=O)CCC1=C(N=C2C(=C1C)C(=NN2C3=CC=C(C=C3)C)C)C

>  <InChI Std. ID>
InChI=1S/C25H35N5O/c1-7-29(8-2)16-15-26-23(31)14-13-22-18(4)24-20(6)28-30(25(24)27-19(22)5)21-11-9-17(3)10-12-21/h9-12H,7-8,13-16H2,1-6H3,(H,26,31)

>  <InChI Key>
CRZGIBBJIJHGEQ-UHFFFAOYSA-N

