FZE

8-(((1R,2R,3R,5S)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one


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Chemical Component Summary

Name8-(((1R,2R,3R,5S)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one
Identifiers8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-1,7-naphthyridin-2-one
FormulaC30 H37 F2 N5 O
Molecular Weight521.644
TypeNON-POLYMER
Isomeric SMILESCc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4C[C@H]5CC[C@@H]([C@H]4CCC6CCC(CC6)(F)F)N5
InChIInChI=1S/C30H37F2N5O/c1-17-11-20(15-33-14-17)24-16-34-28(27-23(24)12-18(2)29(38)37-27)36-26-13-21-4-6-25(35-21)22(26)5-3-19-7-9-30(31,32)10-8-19/h11-12,14-16,19,21-22,25-26,35H,3-10,13H2,1-2H3,(H,34,36)(H,37,38)/t21-,22-,25+,26-/m1/s1
InChIKeyXSDXNVMLXLEGSP-ULDOEVFSSA-N

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count4
Bond Count80
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL4242484
PubChem 134817552
ChEMBL CHEMBL4242484