9B1

2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5H)-one


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Chemical Component Summary

Name2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5H)-one
Identifiers10-[2-(hydroxymethyl)-3-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]phenyl]-4,4-dimethyl-7-thia-10-azatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6)-dien-9-one
FormulaC29 H29 N5 O3 S
Molecular Weight527.637
TypeNON-POLYMER
Isomeric SMILESCC1(Cc2c3c(sc2C1)C(=O)N(CC3)c4cccc(c4CO)C5=CN(C(=O)C(=C5)Nc6ccncn6)C)C
InChIInChI=1S/C29H29N5O3S/c1-29(2)12-20-19-8-10-34(28(37)26(19)38-24(20)13-29)23-6-4-5-18(21(23)15-35)17-11-22(27(36)33(3)14-17)32-25-7-9-30-16-31-25/h4-7,9,11,14,16,35H,8,10,12-13,15H2,1-3H3,(H,30,31,32)
InChIKeyQAESSIFTPVEYRY-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count0
Bond Count72
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL3670082
PubChem 54596723
ChEMBL CHEMBL3670082