5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C277H225F22N27O40 — CID 157117550

IUPAC5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC(C)(C#N)c1cccc(C(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4[C@@H]23)c1.CN(C)[C@@H]1CCCN(c2ccc(C(=O)C[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]34)cc2C(F)(F)F)C1.CN(C)[C@H]1CCCN(c2ccc(C(=O)C[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]34)cc2C(F)(F)F)C1.N#CC1(c2cccc(C(=O)C[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]34)c2)CC1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5cc(C(F)(F)F)ccn5)[C@H]3O4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5ccc(C(F)(F)F)c(F)c5)[C@H]3O4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5ccc(C(F)(F)F)cc5)[C@H]3O4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5ccc(F)c(F)c5)[C@H]3O4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5cccc(F)c5)[C@H]3O4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5ccccc5C(F)(F)F)[C@H]3O4)ccnc2N1
InChIInChI=1S/2C33H33F3N4O4.C29H23N3O4.C29H25N3O4.C26H18F4N2O4.2C26H19F3N2O4.C25H18F3N3O4.C25H18F2N2O4.C25H19FN2O4/c2*1-39(2)19-4-3-13-40(17-19)25-8-5-18(14-24(25)33(34,35)36)26(41)16-23-30-22-15-20(6-9-27(22)44-31(23)30)43-28-11-12-37-32-21(28)7-10-29(42)38-32;30-15-29(9-10-29)17-3-1-2-16(12-17)22(33)14-21-26-20-13-18(4-6-23(20)36-27(21)26)35-24-8-11-31-28-19(24)5-7-25(34)32-28;1-29(2,15-30)17-5-3-4-16(12-17)22(33)14-21-26-20-13-18(6-8-23(20)36-27(21)26)35-24-10-11-31-28-19(24)7-9-25(34)32-28;27-18-9-12(1-4-17(18)26(28,29)30)19(33)11-16-23-15-10-13(2-5-20(15)36-24(16)23)35-21-7-8-31-25-14(21)3-6-22(34)32-25;27-26(28,29)14-3-1-13(2-4-14)19(32)12-18-23-17-11-15(5-7-20(17)35-24(18)23)34-21-9-10-30-25-16(21)6-8-22(33)31-25;27-26(28,29)18-4-2-1-3-14(18)19(32)12-17-23-16-11-13(5-7-20(16)35-24(17)23)34-21-9-10-30-25-15(21)6-8-22(33)31-25;26-25(27,28)12-5-7-29-17(9-12)18(32)11-16-22-15-10-13(1-3-19(15)35-23(16)22)34-20-6-8-30-24-14(20)2-4-21(33)31-24;26-17-4-1-12(9-18(17)27)19(30)11-16-23-15-10-13(2-5-20(15)33-24(16)23)32-21-7-8-28-25-14(21)3-6-22(31)29-25;26-14-3-1-2-13(10-14)19(29)12-18-23-17-11-15(4-6-20(17)32-24(18)23)31-21-8-9-27-25-16(21)5-7-22(30)28-25/h2*5-6,8-9,11-12,14-15,19,23,30-31H,3-4,7,10,13,16-17H2,1-2H3,(H,37,38,42);1-4,6,8,11-13,21,26-27H,5,7,9-10,14H2,(H,31,32,34);3-6,8,10-13,21,26-27H,7,9,14H2,1-2H3,(H,31,32,34);1-2,4-5,7-10,16,23-24H,3,6,11H2,(H,31,32,34);1-5,7,9-11,18,23-24H,6,8,12H2,(H,30,31,33);1-5,7,9-11,17,23-24H,6,8,12H2,(H,30,31,33);1,3,5-10,16,22-23H,2,4,11H2,(H,30,31,33);1-2,4-5,7-10,16,23-24H,3,6,11H2,(H,28,29,31);1-4,6,8-11,18,23-24H,5,7,12H2,(H,27,28,30)/t19-,23+,30+,31-;19-,23-,30-,31+;2*21-,26-,27+;16-,23-,24+;18-,23-,24+;17-,23-,24+;16-,22-,23+;16-,23-,24+;18-,23-,24+/m1000000000/s1
InChIKeyAHOUJJBDPFCHEQ-PGYBMRQQSA-N
MW4989.95 g/mol
LogP53.54
Rot. Bonds56

About 5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 157117550) has the molecular formula C277H225F22N27O40 and a molecular weight of 4989.95 g/mol. Its IUPAC name is 5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID157117550
Molecular FormulaC277H225F22N27O40
Molecular Weight4989.95 g/mol
Exact Mass4986.61
IUPAC Name5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC(C)(C#N)c1cccc(C(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4[C@@H]23)c1.CN(C)[C@@H]1CCCN(c2ccc(C(=O)C[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]34)cc2C(F)(F)F)C1.CN(C)[C@H]1CCCN(c2ccc(C(=O)C[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]34)cc2C(F)(F)F)C1.N#CC1(c2cccc(C(=O)C[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]34)c2)CC1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5cc(C(F)(F)F)ccn5)[C@H]3O4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5ccc(C(F)(F)F)c(F)c5)[C@H]3O4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5ccc(C(F)(F)F)cc5)[C@H]3O4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5ccc(F)c(F)c5)[C@H]3O4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5cccc(F)c5)[C@H]3O4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5ccccc5C(F)(F)F)[C@H]3O4)ccnc2N1
InChIInChI=1S/2C33H33F3N4O4.C29H23N3O4.C29H25N3O4.C26H18F4N2O4.2C26H19F3N2O4.C25H18F3N3O4.C25H18F2N2O4.C25H19FN2O4/c2*1-39(2)19-4-3-13-40(17-19)25-8-5-18(14-24(25)33(34,35)36)26(41)16-23-30-22-15-20(6-9-27(22)44-31(23)30)43-28-11-12-37-32-21(28)7-10-29(42)38-32;30-15-29(9-10-29)17-3-1-2-16(12-17)22(33)14-21-26-20-13-18(4-6-23(20)36-27(21)26)35-24-8-11-31-28-19(24)5-7-25(34)32-28;1-29(2,15-30)17-5-3-4-16(12-17)22(33)14-21-26-20-13-18(6-8-23(20)36-27(21)26)35-24-10-11-31-28-19(24)7-9-25(34)32-28;27-18-9-12(1-4-17(18)26(28,29)30)19(33)11-16-23-15-10-13(2-5-20(15)36-24(16)23)35-21-7-8-31-25-14(21)3-6-22(34)32-25;27-26(28,29)14-3-1-13(2-4-14)19(32)12-18-23-17-11-15(5-7-20(17)35-24(18)23)34-21-9-10-30-25-16(21)6-8-22(33)31-25;27-26(28,29)18-4-2-1-3-14(18)19(32)12-17-23-16-11-13(5-7-20(16)35-24(17)23)34-21-9-10-30-25-15(21)6-8-22(33)31-25;26-25(27,28)12-5-7-29-17(9-12)18(32)11-16-22-15-10-13(1-3-19(15)35-23(16)22)34-20-6-8-30-24-14(20)2-4-21(33)31-24;26-17-4-1-12(9-18(17)27)19(30)11-16-23-15-10-13(2-5-20(15)33-24(16)23)32-21-7-8-28-25-14(21)3-6-22(31)29-25;26-14-3-1-2-13(10-14)19(29)12-18-23-17-11-15(4-6-20(17)32-24(18)23)31-21-8-9-27-25-16(21)5-7-22(30)28-25/h2*5-6,8-9,11-12,14-15,19,23,30-31H,3-4,7,10,13,16-17H2,1-2H3,(H,37,38,42);1-4,6,8,11-13,21,26-27H,5,7,9-10,14H2,(H,31,32,34);3-6,8,10-13,21,26-27H,7,9,14H2,1-2H3,(H,31,32,34);1-2,4-5,7-10,16,23-24H,3,6,11H2,(H,31,32,34);1-5,7,9-11,18,23-24H,6,8,12H2,(H,30,31,33);1-5,7,9-11,17,23-24H,6,8,12H2,(H,30,31,33);1,3,5-10,16,22-23H,2,4,11H2,(H,30,31,33);1-2,4-5,7-10,16,23-24H,3,6,11H2,(H,28,29,31);1-4,6,8-11,18,23-24H,5,7,12H2,(H,27,28,30)/t19-,23+,30+,31-;19-,23-,30-,31+;2*21-,26-,27+;16-,23-,24+;18-,23-,24+;17-,23-,24+;16-,22-,23+;16-,23-,24+;18-,23-,24+/m1000000000/s1
InChIKeyAHOUJJBDPFCHEQ-PGYBMRQQSA-N
XLogP53.54
TPSA848.63 Ų
H-Bond Donors10
H-Bond Acceptors57
Rotatable Bonds56
Heavy Atoms366
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004989.95
LogP ≤ 553.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1057

Analyze 5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 157117550) is 5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CC(C)(C#N)c1cccc(C(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4[C@@H]23)c1.CN(C)[C@@H]1CCCN(c2ccc(C(=O)C[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]34)cc2C(F)(F)F)C1.CN(C)[C@H]1CCCN(c2ccc(C(=O)C[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]34)cc2C(F)(F)F)C1.N#CC1(c2cccc(C(=O)C[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]34)c2)CC1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5cc(C(F)(F)F)ccn5)[C@H]3O4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5ccc(C(F)(F)F)c(F)c5)[C@H]3O4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5ccc(C(F)(F)F)cc5)[C@H]3O4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5ccc(F)c(F)c5)[C@H]3O4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5cccc(F)c5)[C@H]3O4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](CC(=O)c5ccccc5C(F)(F)F)[C@H]3O4)ccnc2N1.
What is the InChIKey of 5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is AHOUJJBDPFCHEQ-PGYBMRQQSA-N. The full InChI is InChI=1S/2C33H33F3N4O4.C29H23N3O4.C29H25N3O4.C26H18F4N2O4.2C26H19F3N2O4.C25H18F3N3O4.C25H18F2N2O4.C25H19FN2O4/c2*1-39(2)19-4-3-13-40(17-19)25-8-5-18(14-24(25)33(34,35)36)26(41)16-23-30-22-15-20(6-9-27(22)44-31(23)30)43-28-11-12-37-32-21(28)7-10-29(42)38-32;30-15-29(9-10-29)17-3-1-2-16(12-17)22(33)14-21-26-20-13-18(4-6-23(20)36-27(21)26)35-24-8-11-31-28-19(24)5-7-25(34)32-28;1-29(2,15-30)17-5-3-4-16(12-17)22(33)14-21-26-20-13-18(6-8-23(20)36-27(21)26)35-24-10-11-31-28-19(24)7-9-25(34)32-28;27-18-9-12(1-4-17(18)26(28,29)30)19(33)11-16-23-15-10-13(2-5-20(15)36-24(16)23)35-21-7-8-31-25-14(21)3-6-22(34)32-25;27-26(28,29)14-3-1-13(2-4-14)19(32)12-18-23-17-11-15(5-7-20(17)35-24(18)23)34-21-9-10-30-25-16(21)6-8-22(33)31-25;27-26(28,29)18-4-2-1-3-14(18)19(32)12-17-23-16-11-13(5-7-20(16)35-24(17)23)34-21-9-10-30-25-15(21)6-8-22(33)31-25;26-25(27,28)12-5-7-29-17(9-12)18(32)11-16-22-15-10-13(1-3-19(15)35-23(16)22)34-20-6-8-30-24-14(20)2-4-21(33)31-24;26-17-4-1-12(9-18(17)27)19(30)11-16-23-15-10-13(2-5-20(15)33-24(16)23)32-21-7-8-28-25-14(21)3-6-22(31)29-25;26-14-3-1-2-13(10-14)19(29)12-18-23-17-11-15(4-6-20(17)32-24(18)23)31-21-8-9-27-25-16(21)5-7-22(30)28-25/h2*5-6,8-9,11-12,14-15,19,23,30-31H,3-4,7,10,13,16-17H2,1-2H3,(H,37,38,42);1-4,6,8,11-13,21,26-27H,5,7,9-10,14H2,(H,31,32,34);3-6,8,10-13,21,26-27H,7,9,14H2,1-2H3,(H,31,32,34);1-2,4-5,7-10,16,23-24H,3,6,11H2,(H,31,32,34);1-5,7,9-11,18,23-24H,6,8,12H2,(H,30,31,33);1-5,7,9-11,17,23-24H,6,8,12H2,(H,30,31,33);1,3,5-10,16,22-23H,2,4,11H2,(H,30,31,33);1-2,4-5,7-10,16,23-24H,3,6,11H2,(H,28,29,31);1-4,6,8-11,18,23-24H,5,7,12H2,(H,27,28,30)/t19-,23+,30+,31-;19-,23-,30-,31+;2*21-,26-,27+;16-,23-,24+;18-,23-,24+;17-,23-,24+;16-,22-,23+;16-,23-,24+;18-,23-,24+/m1000000000/s1.
What are the key properties of 5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 4989.95 g/mol, XLogP of 53.54, 56 rotatable bonds, 10 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,1aR,6bR)-1-[2-(3,4-difluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[4-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-(3-fluorophenyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]cyclopropane-1-carbonitrile;2-[3-[2-[(1S,1aR,6bR)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetyl]phenyl]-2-methylpropanenitrile;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[2-oxo-2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 157117550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).