
 CHEMBL3985025

 83 89  0  0  0  0  0  0  0  0999 V2000
    2.6575    2.5107   -3.1448 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3985025

>  <PubChem CID>
134156903

>  <Formula>
C32H41FN8O

>  <Molecular Weight>
572.733000

>  <IUPAC Name>
6-(5-cyclopropyl-2-ethyl-4-fluoropyrazol-3-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCN1C(=C(C(=N1)C2CC2)F)N3CCC4=C(C3)C(=NC(=N4)C5=C(C=CC6=NNC(=C65)C)C)N7CCC(C(C7)(C)C)OC

>  <Isomeric SMILES>
CCN1C(=C(C(=N1)C2CC2)F)N3CCC4=C(C3)C(=NC(=N4)C5=C(C=CC6=NNC(=C65)C)C)N7CC[C@@H](C(C7)(C)C)OC

>  <InChI Std. ID>
InChI=1S/C32H41FN8O/c1-7-41-31(27(33)28(38-41)20-9-10-20)39-14-12-22-21(16-39)30(40-15-13-24(42-6)32(4,5)17-40)35-29(34-22)25-18(2)8-11-23-26(25)19(3)36-37-23/h8,11,20,24H,7,9-10,12-17H2,1-6H3,(H,36,37)/t24-/m0/s1

>  <InChI Key>
AUPXCCJGCDFWIR-DEOSSOPVSA-N

