5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one

C302H286F17N27O42 — CID 157285814

IUPAC5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one
SMILESCC(C)(C)CCC(=O)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.CCCCCCCCCC(=O)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.CCCCCCCCCCCC(=O)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.CCN1CCN(c2ccc(CC(=O)C[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]34)cc2C(F)(F)F)CC1.CN1CCN(c2ccc(CC(=O)C[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]34)cc2C(F)(F)F)CC1.O=C(C[C@@H]1CCc2ccccc21)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.O=C(C[C@H]1CCc2ccccc21)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.O=C(Cc1cc(F)c(F)cc1F)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.O=C(Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CNC(=O)N5)cc3[C@@H]12.O=C(Cc1ccc(F)c(F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccncn4)cc3[C@@H]12.O=C(Cc1ccc(F)cc1F)C[C@@H]1[C@H]2Oc3ccc(Oc4ccncn4)cc3[C@@H]12
InChIInChI=1S/C33H33F3N4O4.C32H31F3N4O4.C30H38N2O4.2C29H26N2O4.C28H34N2O4.C26H19F4N3O4.C26H19F3N2O4.C25H28N2O4.2C22H16F2N2O3/c1-2-39-11-13-40(14-12-39)26-6-3-19(16-25(26)33(34,35)36)15-20(41)17-24-30-23-18-21(4-7-27(23)44-31(24)30)43-28-9-10-37-32-22(28)5-8-29(42)38-32;1-38-10-12-39(13-11-38)25-5-2-18(15-24(25)32(33,34)35)14-19(40)16-23-29-22-17-20(3-6-26(22)43-30(23)29)42-27-8-9-36-31-21(27)4-7-28(41)37-31;1-2-3-4-5-6-7-8-9-10-11-20(33)18-24-28-23-19-21(12-14-25(23)36-29(24)28)35-26-16-17-31-30-22(26)13-15-27(34)32-30;2*32-18(13-17-6-5-16-3-1-2-4-20(16)17)14-23-27-22-15-19(7-9-24(22)35-28(23)27)34-25-11-12-30-29-21(25)8-10-26(33)31-29;1-2-3-4-5-6-7-8-9-18(31)16-22-26-21-17-19(10-12-23(21)34-27(22)26)33-24-14-15-29-28-20(24)11-13-25(32)30-28;27-19-3-1-12(8-18(19)26(28,29)30)7-13(34)9-16-22-15-10-14(2-4-20(15)37-23(16)22)36-21-5-6-31-24-17(21)11-32-25(35)33-24;27-18-11-20(29)19(28)8-12(18)7-13(32)9-17-24-16-10-14(1-3-21(16)35-25(17)24)34-22-5-6-30-26-15(22)2-4-23(33)31-26;1-25(2,3)10-8-14(28)12-18-22-17-13-15(4-6-19(17)31-23(18)22)30-20-9-11-26-24-16(20)5-7-21(29)27-24;23-17-3-1-12(8-18(17)24)7-13(27)9-16-21-15-10-14(2-4-19(15)29-22(16)21)28-20-5-6-25-11-26-20;23-13-2-1-12(18(24)8-13)7-14(27)9-17-21-16-10-15(3-4-19(16)29-22(17)21)28-20-5-6-25-11-26-20/h3-4,6-7,9-10,16,18,24,30-31H,2,5,8,11-15,17H2,1H3,(H,37,38,42);2-3,5-6,8-9,15,17,23,29-30H,4,7,10-14,16H2,1H3,(H,36,37,41);12,14,16-17,19,24,28-29H,2-11,13,15,18H2,1H3,(H,31,32,34);2*1-4,7,9,11-12,15,17,23,27-28H,5-6,8,10,13-14H2,(H,30,31,33);10,12,14-15,17,22,26-27H,2-9,11,13,16H2,1H3,(H,29,30,32);1-6,8,10,16,22-23H,7,9,11H2,(H2,31,32,33,35);1,3,5-6,8,10-11,17,24-25H,2,4,7,9H2,(H,30,31,33);4,6,9,11,13,18,22-23H,5,7-8,10,12H2,1-3H3,(H,26,27,29);1-6,8,10-11,16,21-22H,7,9H2;1-6,8,10-11,17,21-22H,7,9H2/t24-,30-,31+;23-,29-,30+;24-,28-,29+;17-,23+,27+,28-;17-,23-,27-,28+;22-,26-,27+;16-,22-,23+;17-,24-,25+;18-,22-,23+;16-,21-,22+;17-,21-,22+/m00010000000/s1
InChIKeyBAFJJCOFXPAZSZ-SCJSHWQPSA-N
MW5288.72 g/mol
LogP58.53
Rot. Bonds83

About 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one

5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one (PubChem CID 157285814) has the molecular formula C302H286F17N27O42 and a molecular weight of 5288.72 g/mol. Its IUPAC name is 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one
PubChem CID157285814
Molecular FormulaC302H286F17N27O42
Molecular Weight5288.72 g/mol
Exact Mass5285.08
IUPAC Name5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one
SMILESCC(C)(C)CCC(=O)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.CCCCCCCCCC(=O)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.CCCCCCCCCCCC(=O)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.CCN1CCN(c2ccc(CC(=O)C[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]34)cc2C(F)(F)F)CC1.CN1CCN(c2ccc(CC(=O)C[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]34)cc2C(F)(F)F)CC1.O=C(C[C@@H]1CCc2ccccc21)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.O=C(C[C@H]1CCc2ccccc21)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.O=C(Cc1cc(F)c(F)cc1F)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.O=C(Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CNC(=O)N5)cc3[C@@H]12.O=C(Cc1ccc(F)c(F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccncn4)cc3[C@@H]12.O=C(Cc1ccc(F)cc1F)C[C@@H]1[C@H]2Oc3ccc(Oc4ccncn4)cc3[C@@H]12
InChIInChI=1S/C33H33F3N4O4.C32H31F3N4O4.C30H38N2O4.2C29H26N2O4.C28H34N2O4.C26H19F4N3O4.C26H19F3N2O4.C25H28N2O4.2C22H16F2N2O3/c1-2-39-11-13-40(14-12-39)26-6-3-19(16-25(26)33(34,35)36)15-20(41)17-24-30-23-18-21(4-7-27(23)44-31(24)30)43-28-9-10-37-32-22(28)5-8-29(42)38-32;1-38-10-12-39(13-11-38)25-5-2-18(15-24(25)32(33,34)35)14-19(40)16-23-29-22-17-20(3-6-26(22)43-30(23)29)42-27-8-9-36-31-21(27)4-7-28(41)37-31;1-2-3-4-5-6-7-8-9-10-11-20(33)18-24-28-23-19-21(12-14-25(23)36-29(24)28)35-26-16-17-31-30-22(26)13-15-27(34)32-30;2*32-18(13-17-6-5-16-3-1-2-4-20(16)17)14-23-27-22-15-19(7-9-24(22)35-28(23)27)34-25-11-12-30-29-21(25)8-10-26(33)31-29;1-2-3-4-5-6-7-8-9-18(31)16-22-26-21-17-19(10-12-23(21)34-27(22)26)33-24-14-15-29-28-20(24)11-13-25(32)30-28;27-19-3-1-12(8-18(19)26(28,29)30)7-13(34)9-16-22-15-10-14(2-4-20(15)37-23(16)22)36-21-5-6-31-24-17(21)11-32-25(35)33-24;27-18-11-20(29)19(28)8-12(18)7-13(32)9-17-24-16-10-14(1-3-21(16)35-25(17)24)34-22-5-6-30-26-15(22)2-4-23(33)31-26;1-25(2,3)10-8-14(28)12-18-22-17-13-15(4-6-19(17)31-23(18)22)30-20-9-11-26-24-16(20)5-7-21(29)27-24;23-17-3-1-12(8-18(17)24)7-13(27)9-16-21-15-10-14(2-4-19(15)29-22(16)21)28-20-5-6-25-11-26-20;23-13-2-1-12(18(24)8-13)7-14(27)9-17-21-16-10-15(3-4-19(16)29-22(17)21)28-20-5-6-25-11-26-20/h3-4,6-7,9-10,16,18,24,30-31H,2,5,8,11-15,17H2,1H3,(H,37,38,42);2-3,5-6,8-9,15,17,23,29-30H,4,7,10-14,16H2,1H3,(H,36,37,41);12,14,16-17,19,24,28-29H,2-11,13,15,18H2,1H3,(H,31,32,34);2*1-4,7,9,11-12,15,17,23,27-28H,5-6,8,10,13-14H2,(H,30,31,33);10,12,14-15,17,22,26-27H,2-9,11,13,16H2,1H3,(H,29,30,32);1-6,8,10,16,22-23H,7,9,11H2,(H2,31,32,33,35);1,3,5-6,8,10-11,17,24-25H,2,4,7,9H2,(H,30,31,33);4,6,9,11,13,18,22-23H,5,7-8,10,12H2,1-3H3,(H,26,27,29);1-6,8,10-11,16,21-22H,7,9H2;1-6,8,10-11,17,21-22H,7,9H2/t24-,30-,31+;23-,29-,30+;24-,28-,29+;17-,23+,27+,28-;17-,23-,27-,28+;22-,26-,27+;16-,22-,23+;17-,24-,25+;18-,22-,23+;16-,21-,22+;17-,21-,22+/m00010000000/s1
InChIKeyBAFJJCOFXPAZSZ-SCJSHWQPSA-N
XLogP58.53
TPSA845.29 Ų
H-Bond Donors10
H-Bond Acceptors59
Rotatable Bonds83
Heavy Atoms388
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005288.72
LogP ≤ 558.53
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1059

Analyze 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one?
The IUPAC name of 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one (CID 157285814) is 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one.
What is the SMILES notation for 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one?
The canonical SMILES for 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one is CC(C)(C)CCC(=O)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.CCCCCCCCCC(=O)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.CCCCCCCCCCCC(=O)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.CCN1CCN(c2ccc(CC(=O)C[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]34)cc2C(F)(F)F)CC1.CN1CCN(c2ccc(CC(=O)C[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]34)cc2C(F)(F)F)CC1.O=C(C[C@@H]1CCc2ccccc21)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.O=C(C[C@H]1CCc2ccccc21)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.O=C(Cc1cc(F)c(F)cc1F)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@@H]12.O=C(Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CNC(=O)N5)cc3[C@@H]12.O=C(Cc1ccc(F)c(F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccncn4)cc3[C@@H]12.O=C(Cc1ccc(F)cc1F)C[C@@H]1[C@H]2Oc3ccc(Oc4ccncn4)cc3[C@@H]12.
What is the InChIKey of 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one?
The InChIKey is BAFJJCOFXPAZSZ-SCJSHWQPSA-N. The full InChI is InChI=1S/C33H33F3N4O4.C32H31F3N4O4.C30H38N2O4.2C29H26N2O4.C28H34N2O4.C26H19F4N3O4.C26H19F3N2O4.C25H28N2O4.2C22H16F2N2O3/c1-2-39-11-13-40(14-12-39)26-6-3-19(16-25(26)33(34,35)36)15-20(41)17-24-30-23-18-21(4-7-27(23)44-31(24)30)43-28-9-10-37-32-22(28)5-8-29(42)38-32;1-38-10-12-39(13-11-38)25-5-2-18(15-24(25)32(33,34)35)14-19(40)16-23-29-22-17-20(3-6-26(22)43-30(23)29)42-27-8-9-36-31-21(27)4-7-28(41)37-31;1-2-3-4-5-6-7-8-9-10-11-20(33)18-24-28-23-19-21(12-14-25(23)36-29(24)28)35-26-16-17-31-30-22(26)13-15-27(34)32-30;2*32-18(13-17-6-5-16-3-1-2-4-20(16)17)14-23-27-22-15-19(7-9-24(22)35-28(23)27)34-25-11-12-30-29-21(25)8-10-26(33)31-29;1-2-3-4-5-6-7-8-9-18(31)16-22-26-21-17-19(10-12-23(21)34-27(22)26)33-24-14-15-29-28-20(24)11-13-25(32)30-28;27-19-3-1-12(8-18(19)26(28,29)30)7-13(34)9-16-22-15-10-14(2-4-20(15)37-23(16)22)36-21-5-6-31-24-17(21)11-32-25(35)33-24;27-18-11-20(29)19(28)8-12(18)7-13(32)9-17-24-16-10-14(1-3-21(16)35-25(17)24)34-22-5-6-30-26-15(22)2-4-23(33)31-26;1-25(2,3)10-8-14(28)12-18-22-17-13-15(4-6-19(17)31-23(18)22)30-20-9-11-26-24-16(20)5-7-21(29)27-24;23-17-3-1-12(8-18(17)24)7-13(27)9-16-21-15-10-14(2-4-19(15)29-22(16)21)28-20-5-6-25-11-26-20;23-13-2-1-12(18(24)8-13)7-14(27)9-17-21-16-10-15(3-4-19(16)29-22(17)21)28-20-5-6-25-11-26-20/h3-4,6-7,9-10,16,18,24,30-31H,2,5,8,11-15,17H2,1H3,(H,37,38,42);2-3,5-6,8-9,15,17,23,29-30H,4,7,10-14,16H2,1H3,(H,36,37,41);12,14,16-17,19,24,28-29H,2-11,13,15,18H2,1H3,(H,31,32,34);2*1-4,7,9,11-12,15,17,23,27-28H,5-6,8,10,13-14H2,(H,30,31,33);10,12,14-15,17,22,26-27H,2-9,11,13,16H2,1H3,(H,29,30,32);1-6,8,10,16,22-23H,7,9,11H2,(H2,31,32,33,35);1,3,5-6,8,10-11,17,24-25H,2,4,7,9H2,(H,30,31,33);4,6,9,11,13,18,22-23H,5,7-8,10,12H2,1-3H3,(H,26,27,29);1-6,8,10-11,16,21-22H,7,9H2;1-6,8,10-11,17,21-22H,7,9H2/t24-,30-,31+;23-,29-,30+;24-,28-,29+;17-,23+,27+,28-;17-,23-,27-,28+;22-,26-,27+;16-,22-,23+;17-,24-,25+;18-,22-,23+;16-,21-,22+;17-,21-,22+/m00010000000/s1.
What are the key properties of 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one?
5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one has a molecular weight of 5288.72 g/mol, XLogP of 58.53, 83 rotatable bonds, 10 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,1aR,6bR)-1-[3-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-[3-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopropyl]-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-(5,5-dimethyl-2-oxohexyl)-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-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-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-oxotridecyl)-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-3-(2,4,5-trifluorophenyl)propyl]-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-oxoundecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3,4-difluorophenyl)propan-2-one is sourced from PubChem (CID 157285814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).