
 CHEMBL1688889

 67 69  0  0  0  0  0  0  0  0999 V2000
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    1.8062    2.6260    0.4947 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1688889

>  <PubChem CID>
9956238

>  <Formula>
C24H33N7O3

>  <Molecular Weight>
467.574000

>  <IUPAC Name>
6-[2-(dimethylamino)ethyl-methylamino]-1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=NN(C2=NC(=C(C=C12)C(=O)NC(=O)NC3=CC(=CC=C3)OC(C)C)N(C)CCN(C)C)C

>  <Isomeric SMILES>
CC1=NN(C2=NC(=C(C=C12)C(=O)NC(=O)NC3=CC(=CC=C3)OC(C)C)N(C)CCN(C)C)C

>  <InChI Std. ID>
InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)

>  <InChI Key>
MFORNGKVWCJAME-UHFFFAOYSA-N

