
 SCHEMBL448475

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M  END

>  <Chemical Name>
SCHEMBL448475

>  <PubChem CID>
66688974

>  <Formula>
C26H25F3N6O3S

>  <Molecular Weight>
558.580000

>  <IUPAC Name>
3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C1=CC=C(C=C1)C(F)(F)F)NC2=NC3=C(CN(CC3)C(=O)C4=NN(C(=C4)C5=CC=CS5)C)C(=O)N2OC

>  <Isomeric SMILES>
C[C@@H](C1=CC=C(C=C1)C(F)(F)F)NC2=NC3=C(CN(CC3)C(=O)C4=NN(C(=C4)C5=CC=CS5)C)C(=O)N2OC

>  <InChI Std. ID>
InChI=1S/C26H25F3N6O3S/c1-15(16-6-8-17(9-7-16)26(27,28)29)30-25-31-19-10-11-34(14-18(19)23(36)35(25)38-3)24(37)20-13-21(33(2)32-20)22-5-4-12-39-22/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,30,31)/t15-/m0/s1

>  <InChI Key>
FUIRXOGPVHEATL-HNNXBMFYSA-N

