4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one

C197H145F27N16O28 — CID 160581018

IUPAC4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4cc(F)c(F)cc4F)[C@H]2O3)ccn1.CNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4ccc(F)c(C(F)(F)F)c4)[C@H]2O3)ccn1.CNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4cccc(C(F)(F)F)c4)[C@H]2O3)ccn1.O=C(Cc1cc(F)c(F)cc1F)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CNC(=O)N5)cc3[C@@H]12.O=C(Cc1cc(F)c(F)cc1F)C[C@@H]1[C@H]2Oc3ccc(Oc4ccncc4)cc3[C@@H]12.O=C(Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccncc4)cc3[C@@H]12.O=C(Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ncnc5nc[nH]c45)cc3[C@@H]12.O=C(Cc1cccc(C(F)(F)F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccncc4)cc3[C@@H]12
InChIInChI=1S/C26H20F4N2O4.C26H21F3N2O4.C25H18F3N3O4.C25H19F3N2O4.C24H16F4N4O3.C24H17F4NO3.C24H18F3NO3.C23H16F3NO3/c1-31-25(34)21-12-16(6-7-32-21)35-15-3-5-22-17(11-15)23-18(24(23)36-22)10-14(33)8-13-2-4-20(27)19(9-13)26(28,29)30;1-30-25(33)21-13-18(7-8-31-21)34-17-5-6-22-19(12-17)23-20(24(23)35-22)11-16(32)10-14-3-2-4-15(9-14)26(27,28)29;26-17-9-19(28)18(27)6-11(17)5-12(32)7-15-22-14-8-13(1-2-20(14)35-23(15)22)34-21-3-4-29-24-16(21)10-30-25(33)31-24;1-29-25(32)21-10-15(4-5-30-21)33-14-2-3-22-16(9-14)23-17(24(23)34-22)8-13(31)6-12-7-19(27)20(28)11-18(12)26;25-17-3-1-11(6-16(17)24(26,27)28)5-12(33)7-15-19-14-8-13(2-4-18(14)35-21(15)19)34-23-20-22(30-9-29-20)31-10-32-23;25-20-3-1-13(10-19(20)24(26,27)28)9-14(30)11-18-22-17-12-16(2-4-21(17)32-23(18)22)31-15-5-7-29-8-6-15;25-24(26,27)15-3-1-2-14(10-15)11-16(29)12-20-22-19-13-18(4-5-21(19)31-23(20)22)30-17-6-8-28-9-7-17;24-18-11-20(26)19(25)8-12(18)7-13(28)9-17-22-16-10-15(1-2-21(16)30-23(17)22)29-14-3-5-27-6-4-14/h2-7,9,11-12,18,23-24H,8,10H2,1H3,(H,31,34);2-9,12-13,20,23-24H,10-11H2,1H3,(H,30,33);1-4,6,8-9,15,22-23H,5,7,10H2,(H2,29,30,31,33);2-5,7,9-11,17,23-24H,6,8H2,1H3,(H,29,32);1-4,6,8-10,15,19,21H,5,7H2,(H,29,30,31,32);1-8,10,12,18,22-23H,9,11H2;1-10,13,20,22-23H,11-12H2;1-6,8,10-11,17,22-23H,7,9H2/t18-,23-,24+;20-,23-,24+;15-,22-,23+;17-,23-,24+;15-,19-,21+;18-,22-,23+;20-,22-,23+;17-,22-,23+/m00000000/s1
InChIKeyRBTYTSIHPZYXOO-MFADBLKBSA-N
MW3697.36 g/mol
LogP40.15
Rot. Bonds51

About 4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one

4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one (PubChem CID 160581018) has the molecular formula C197H145F27N16O28 and a molecular weight of 3697.36 g/mol. Its IUPAC name is 4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one.

Molecular Properties

Compound Name4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one
PubChem CID160581018
Molecular FormulaC197H145F27N16O28
Molecular Weight3697.36 g/mol
Exact Mass3695.00
IUPAC Name4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4cc(F)c(F)cc4F)[C@H]2O3)ccn1.CNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4ccc(F)c(C(F)(F)F)c4)[C@H]2O3)ccn1.CNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4cccc(C(F)(F)F)c4)[C@H]2O3)ccn1.O=C(Cc1cc(F)c(F)cc1F)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CNC(=O)N5)cc3[C@@H]12.O=C(Cc1cc(F)c(F)cc1F)C[C@@H]1[C@H]2Oc3ccc(Oc4ccncc4)cc3[C@@H]12.O=C(Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccncc4)cc3[C@@H]12.O=C(Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ncnc5nc[nH]c45)cc3[C@@H]12.O=C(Cc1cccc(C(F)(F)F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccncc4)cc3[C@@H]12
InChIInChI=1S/C26H20F4N2O4.C26H21F3N2O4.C25H18F3N3O4.C25H19F3N2O4.C24H16F4N4O3.C24H17F4NO3.C24H18F3NO3.C23H16F3NO3/c1-31-25(34)21-12-16(6-7-32-21)35-15-3-5-22-17(11-15)23-18(24(23)36-22)10-14(33)8-13-2-4-20(27)19(9-13)26(28,29)30;1-30-25(33)21-13-18(7-8-31-21)34-17-5-6-22-19(12-17)23-20(24(23)35-22)11-16(32)10-14-3-2-4-15(9-14)26(27,28)29;26-17-9-19(28)18(27)6-11(17)5-12(32)7-15-22-14-8-13(1-2-20(14)35-23(15)22)34-21-3-4-29-24-16(21)10-30-25(33)31-24;1-29-25(32)21-10-15(4-5-30-21)33-14-2-3-22-16(9-14)23-17(24(23)34-22)8-13(31)6-12-7-19(27)20(28)11-18(12)26;25-17-3-1-11(6-16(17)24(26,27)28)5-12(33)7-15-19-14-8-13(2-4-18(14)35-21(15)19)34-23-20-22(30-9-29-20)31-10-32-23;25-20-3-1-13(10-19(20)24(26,27)28)9-14(30)11-18-22-17-12-16(2-4-21(17)32-23(18)22)31-15-5-7-29-8-6-15;25-24(26,27)15-3-1-2-14(10-15)11-16(29)12-20-22-19-13-18(4-5-21(19)31-23(20)22)30-17-6-8-28-9-7-17;24-18-11-20(26)19(25)8-12(18)7-13(28)9-17-22-16-10-15(1-2-21(16)30-23(17)22)29-14-3-5-27-6-4-14/h2-7,9,11-12,18,23-24H,8,10H2,1H3,(H,31,34);2-9,12-13,20,23-24H,10-11H2,1H3,(H,30,33);1-4,6,8-9,15,22-23H,5,7,10H2,(H2,29,30,31,33);2-5,7,9-11,17,23-24H,6,8H2,1H3,(H,29,32);1-4,6,8-10,15,19,21H,5,7H2,(H,29,30,31,32);1-8,10,12,18,22-23H,9,11H2;1-10,13,20,22-23H,11-12H2;1-6,8,10-11,17,22-23H,7,9H2/t18-,23-,24+;20-,23-,24+;15-,22-,23+;17-,23-,24+;15-,19-,21+;18-,22-,23+;20-,22-,23+;17-,22-,23+/m00000000/s1
InChIKeyRBTYTSIHPZYXOO-MFADBLKBSA-N
XLogP40.15
TPSA557.36 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds51
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003697.36
LogP ≤ 540.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Analyze 4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one?
The IUPAC name of 4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one (CID 160581018) is 4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one.
What is the SMILES notation for 4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one?
The canonical SMILES for 4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one is CNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4cc(F)c(F)cc4F)[C@H]2O3)ccn1.CNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4ccc(F)c(C(F)(F)F)c4)[C@H]2O3)ccn1.CNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4cccc(C(F)(F)F)c4)[C@H]2O3)ccn1.O=C(Cc1cc(F)c(F)cc1F)C[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5c4CNC(=O)N5)cc3[C@@H]12.O=C(Cc1cc(F)c(F)cc1F)C[C@@H]1[C@H]2Oc3ccc(Oc4ccncc4)cc3[C@@H]12.O=C(Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccncc4)cc3[C@@H]12.O=C(Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ncnc5nc[nH]c45)cc3[C@@H]12.O=C(Cc1cccc(C(F)(F)F)c1)C[C@@H]1[C@H]2Oc3ccc(Oc4ccncc4)cc3[C@@H]12.
What is the InChIKey of 4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one?
The InChIKey is RBTYTSIHPZYXOO-MFADBLKBSA-N. The full InChI is InChI=1S/C26H20F4N2O4.C26H21F3N2O4.C25H18F3N3O4.C25H19F3N2O4.C24H16F4N4O3.C24H17F4NO3.C24H18F3NO3.C23H16F3NO3/c1-31-25(34)21-12-16(6-7-32-21)35-15-3-5-22-17(11-15)23-18(24(23)36-22)10-14(33)8-13-2-4-20(27)19(9-13)26(28,29)30;1-30-25(33)21-13-18(7-8-31-21)34-17-5-6-22-19(12-17)23-20(24(23)35-22)11-16(32)10-14-3-2-4-15(9-14)26(27,28)29;26-17-9-19(28)18(27)6-11(17)5-12(32)7-15-22-14-8-13(1-2-20(14)35-23(15)22)34-21-3-4-29-24-16(21)10-30-25(33)31-24;1-29-25(32)21-10-15(4-5-30-21)33-14-2-3-22-16(9-14)23-17(24(23)34-22)8-13(31)6-12-7-19(27)20(28)11-18(12)26;25-17-3-1-11(6-16(17)24(26,27)28)5-12(33)7-15-19-14-8-13(2-4-18(14)35-21(15)19)34-23-20-22(30-9-29-20)31-10-32-23;25-20-3-1-13(10-19(20)24(26,27)28)9-14(30)11-18-22-17-12-16(2-4-21(17)32-23(18)22)31-15-5-7-29-8-6-15;25-24(26,27)15-3-1-2-14(10-15)11-16(29)12-20-22-19-13-18(4-5-21(19)31-23(20)22)30-17-6-8-28-9-7-17;24-18-11-20(26)19(25)8-12(18)7-13(28)9-17-22-16-10-15(1-2-21(16)30-23(17)22)29-14-3-5-27-6-4-14/h2-7,9,11-12,18,23-24H,8,10H2,1H3,(H,31,34);2-9,12-13,20,23-24H,10-11H2,1H3,(H,30,33);1-4,6,8-9,15,22-23H,5,7,10H2,(H2,29,30,31,33);2-5,7,9-11,17,23-24H,6,8H2,1H3,(H,29,32);1-4,6,8-10,15,19,21H,5,7H2,(H,29,30,31,32);1-8,10,12,18,22-23H,9,11H2;1-10,13,20,22-23H,11-12H2;1-6,8,10-11,17,22-23H,7,9H2/t18-,23-,24+;20-,23-,24+;15-,22-,23+;17-,23-,24+;15-,19-,21+;18-,22-,23+;20-,22-,23+;17-,22-,23+/m00000000/s1.
What are the key properties of 4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one?
4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one has a molecular weight of 3697.36 g/mol, XLogP of 40.15, 51 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,1aR,6bR)-1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;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-pyrido[2,3-d]pyrimidin-2-one;4-[[(1S,1aR,6bR)-1-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one is sourced from PubChem (CID 160581018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).