5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one

C229H190F17N19O34 — CID 157236656

IUPAC5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4cc(F)c(C)cc4F)[C@H]2O3)ccn1.CNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4ccc(C)c(C(F)(F)F)c4)[C@H]2O3)ccn1.CNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4cccc(C)c4)[C@H]2O3)ccn1.Cc1cc(F)c(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CNC(=O)N6)cc4[C@@H]23)cc1F.Cc1cc(F)c(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5COC(=O)N6)cc4[C@@H]23)cc1F.Cc1ccc(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CNC(=O)N6)cc4[C@@H]23)cc1C(F)(F)F.Cc1ccc(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccncc5)cc4[C@@H]23)cc1C(F)(F)F.Cc1ccc(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccncn5)cc4[C@@H]23)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccncn5)cc4[C@@H]23)cc1F
InChIInChI=1S/C27H22F3N3O4.C27H23F3N2O4.C26H21F2N3O4.C26H20F2N2O5.C26H22F2N2O4.C26H24N2O4.C25H20F3NO3.2C23H19FN2O3/c1-13-2-3-14(9-20(13)27(28,29)30)8-15(34)10-18-23-17-11-16(4-5-21(17)37-24(18)23)36-22-6-7-31-25-19(22)12-32-26(35)33-25;1-14-3-4-15(10-21(14)27(28,29)30)9-16(33)11-20-24-19-12-17(5-6-23(19)36-25(20)24)35-18-7-8-32-22(13-18)26(34)31-2;1-12-6-20(28)13(8-19(12)27)7-14(32)9-17-23-16-10-15(2-3-21(16)35-24(17)23)34-22-4-5-29-25-18(22)11-30-26(33)31-25;1-12-6-20(28)13(8-19(12)27)7-14(31)9-17-23-16-10-15(2-3-21(16)35-24(17)23)34-22-4-5-29-25-18(22)11-33-26(32)30-25;1-13-7-21(28)14(9-20(13)27)8-15(31)10-19-24-18-11-16(3-4-23(18)34-25(19)24)33-17-5-6-30-22(12-17)26(32)29-2;1-15-4-3-5-16(10-15)11-17(29)12-21-24-20-13-18(6-7-23(20)32-25(21)24)31-19-8-9-28-22(14-19)26(30)27-2;1-14-2-3-15(11-21(14)25(26,27)28)10-16(30)12-20-23-19-13-18(4-5-22(19)32-24(20)23)31-17-6-8-29-9-7-17;1-13-2-3-14(9-19(13)24)8-15(27)10-18-22-17-11-16(4-5-20(17)29-23(18)22)28-21-6-7-25-12-26-21;1-13-2-3-14(19(24)8-13)9-15(27)10-18-22-17-11-16(4-5-20(17)29-23(18)22)28-21-6-7-25-12-26-21/h2-7,9,11,18,23-24H,8,10,12H2,1H3,(H2,31,32,33,35);3-8,10,12-13,20,24-25H,9,11H2,1-2H3,(H,31,34);2-6,8,10,17,23-24H,7,9,11H2,1H3,(H2,29,30,31,33);2-6,8,10,17,23-24H,7,9,11H2,1H3,(H,29,30,32);3-7,9,11-12,19,24-25H,8,10H2,1-2H3,(H,29,32);3-10,13-14,21,24-25H,11-12H2,1-2H3,(H,27,30);2-9,11,13,20,23-24H,10,12H2,1H3;2-7,9,11-12,18,22-23H,8,10H2,1H3;2-8,11-12,18,22-23H,9-10H2,1H3/t18-,23-,24+;20-,24-,25+;2*17-,23-,24+;19-,24-,25+;21-,24-,25+;20-,23-,24+;2*18-,22-,23+/m000000000/s1
InChIKeyAUSFWPQAQQZVOK-HSBSOOKRSA-N
MW4075.10 g/mol
LogP44.10
Rot. Bonds57

About 5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one

5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one (PubChem CID 157236656) has the molecular formula C229H190F17N19O34 and a molecular weight of 4075.10 g/mol. Its IUPAC name is 5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one
PubChem CID157236656
Molecular FormulaC229H190F17N19O34
Molecular Weight4075.10 g/mol
Exact Mass4072.35
IUPAC Name5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4cc(F)c(C)cc4F)[C@H]2O3)ccn1.CNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4ccc(C)c(C(F)(F)F)c4)[C@H]2O3)ccn1.CNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4cccc(C)c4)[C@H]2O3)ccn1.Cc1cc(F)c(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CNC(=O)N6)cc4[C@@H]23)cc1F.Cc1cc(F)c(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5COC(=O)N6)cc4[C@@H]23)cc1F.Cc1ccc(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CNC(=O)N6)cc4[C@@H]23)cc1C(F)(F)F.Cc1ccc(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccncc5)cc4[C@@H]23)cc1C(F)(F)F.Cc1ccc(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccncn5)cc4[C@@H]23)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccncn5)cc4[C@@H]23)cc1F
InChIInChI=1S/C27H22F3N3O4.C27H23F3N2O4.C26H21F2N3O4.C26H20F2N2O5.C26H22F2N2O4.C26H24N2O4.C25H20F3NO3.2C23H19FN2O3/c1-13-2-3-14(9-20(13)27(28,29)30)8-15(34)10-18-23-17-11-16(4-5-21(17)37-24(18)23)36-22-6-7-31-25-19(22)12-32-26(35)33-25;1-14-3-4-15(10-21(14)27(28,29)30)9-16(33)11-20-24-19-12-17(5-6-23(19)36-25(20)24)35-18-7-8-32-22(13-18)26(34)31-2;1-12-6-20(28)13(8-19(12)27)7-14(32)9-17-23-16-10-15(2-3-21(16)35-24(17)23)34-22-4-5-29-25-18(22)11-30-26(33)31-25;1-12-6-20(28)13(8-19(12)27)7-14(31)9-17-23-16-10-15(2-3-21(16)35-24(17)23)34-22-4-5-29-25-18(22)11-33-26(32)30-25;1-13-7-21(28)14(9-20(13)27)8-15(31)10-19-24-18-11-16(3-4-23(18)34-25(19)24)33-17-5-6-30-22(12-17)26(32)29-2;1-15-4-3-5-16(10-15)11-17(29)12-21-24-20-13-18(6-7-23(20)32-25(21)24)31-19-8-9-28-22(14-19)26(30)27-2;1-14-2-3-15(11-21(14)25(26,27)28)10-16(30)12-20-23-19-13-18(4-5-22(19)32-24(20)23)31-17-6-8-29-9-7-17;1-13-2-3-14(9-19(13)24)8-15(27)10-18-22-17-11-16(4-5-20(17)29-23(18)22)28-21-6-7-25-12-26-21;1-13-2-3-14(19(24)8-13)9-15(27)10-18-22-17-11-16(4-5-20(17)29-23(18)22)28-21-6-7-25-12-26-21/h2-7,9,11,18,23-24H,8,10,12H2,1H3,(H2,31,32,33,35);3-8,10,12-13,20,24-25H,9,11H2,1-2H3,(H,31,34);2-6,8,10,17,23-24H,7,9,11H2,1H3,(H2,29,30,31,33);2-6,8,10,17,23-24H,7,9,11H2,1H3,(H,29,30,32);3-7,9,11-12,19,24-25H,8,10H2,1-2H3,(H,29,32);3-10,13-14,21,24-25H,11-12H2,1-2H3,(H,27,30);2-9,11,13,20,23-24H,10,12H2,1H3;2-7,9,11-12,18,22-23H,8,10H2,1H3;2-8,11-12,18,22-23H,9-10H2,1H3/t18-,23-,24+;20-,24-,25+;2*17-,23-,24+;19-,24-,25+;21-,24-,25+;20-,23-,24+;2*18-,22-,23+/m000000000/s1
InChIKeyAUSFWPQAQQZVOK-HSBSOOKRSA-N
XLogP44.10
TPSA669.45 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds57
Heavy Atoms299
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004075.10
LogP ≤ 544.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Analyze 5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one with MolForge

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Related Compounds

CID 157117550
CID 157117550
CID 157226028
CID 157226028
CID 157243592
CID 157243592
CID 157285814
CID 157285814
CID 157292479
CID 157292479
1-[(1S,1aR,6bR)-5-[(2-amino-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-[(2-amino-4-pyridinyl)oxy]-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
CID 157434077
CID 157470687
CID 157470687
CID 157541293
CID 157541293
2-[(1S,1aR,6bR)-5-[(2-amino-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;5-[[(1S,1aR,6bR)-1-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-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-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
CID 157654373
CID 157687373
CID 157687373
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-[2-oxo-3-(2,4,5-trifluorophenyl)propyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-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-pyrido[2,3-d]pyrimidin-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 157720990
CID 157835602
CID 157835602

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one?
The IUPAC name of 5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one (CID 157236656) is 5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one.
What is the SMILES notation for 5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one?
The canonical SMILES for 5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one is CNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4cc(F)c(C)cc4F)[C@H]2O3)ccn1.CNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4ccc(C)c(C(F)(F)F)c4)[C@H]2O3)ccn1.CNC(=O)c1cc(Oc2ccc3c(c2)[C@H]2[C@H](CC(=O)Cc4cccc(C)c4)[C@H]2O3)ccn1.Cc1cc(F)c(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CNC(=O)N6)cc4[C@@H]23)cc1F.Cc1cc(F)c(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5COC(=O)N6)cc4[C@@H]23)cc1F.Cc1ccc(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CNC(=O)N6)cc4[C@@H]23)cc1C(F)(F)F.Cc1ccc(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccncc5)cc4[C@@H]23)cc1C(F)(F)F.Cc1ccc(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccncn5)cc4[C@@H]23)c(F)c1.Cc1ccc(CC(=O)C[C@@H]2[C@H]3Oc4ccc(Oc5ccncn5)cc4[C@@H]23)cc1F.
What is the InChIKey of 5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one?
The InChIKey is AUSFWPQAQQZVOK-HSBSOOKRSA-N. The full InChI is InChI=1S/C27H22F3N3O4.C27H23F3N2O4.C26H21F2N3O4.C26H20F2N2O5.C26H22F2N2O4.C26H24N2O4.C25H20F3NO3.2C23H19FN2O3/c1-13-2-3-14(9-20(13)27(28,29)30)8-15(34)10-18-23-17-11-16(4-5-21(17)37-24(18)23)36-22-6-7-31-25-19(22)12-32-26(35)33-25;1-14-3-4-15(10-21(14)27(28,29)30)9-16(33)11-20-24-19-12-17(5-6-23(19)36-25(20)24)35-18-7-8-32-22(13-18)26(34)31-2;1-12-6-20(28)13(8-19(12)27)7-14(32)9-17-23-16-10-15(2-3-21(16)35-24(17)23)34-22-4-5-29-25-18(22)11-30-26(33)31-25;1-12-6-20(28)13(8-19(12)27)7-14(31)9-17-23-16-10-15(2-3-21(16)35-24(17)23)34-22-4-5-29-25-18(22)11-33-26(32)30-25;1-13-7-21(28)14(9-20(13)27)8-15(31)10-19-24-18-11-16(3-4-23(18)34-25(19)24)33-17-5-6-30-22(12-17)26(32)29-2;1-15-4-3-5-16(10-15)11-17(29)12-21-24-20-13-18(6-7-23(20)32-25(21)24)31-19-8-9-28-22(14-19)26(30)27-2;1-14-2-3-15(11-21(14)25(26,27)28)10-16(30)12-20-23-19-13-18(4-5-22(19)32-24(20)23)31-17-6-8-29-9-7-17;1-13-2-3-14(9-19(13)24)8-15(27)10-18-22-17-11-16(4-5-20(17)29-23(18)22)28-21-6-7-25-12-26-21;1-13-2-3-14(19(24)8-13)9-15(27)10-18-22-17-11-16(4-5-20(17)29-23(18)22)28-21-6-7-25-12-26-21/h2-7,9,11,18,23-24H,8,10,12H2,1H3,(H2,31,32,33,35);3-8,10,12-13,20,24-25H,9,11H2,1-2H3,(H,31,34);2-6,8,10,17,23-24H,7,9,11H2,1H3,(H2,29,30,31,33);2-6,8,10,17,23-24H,7,9,11H2,1H3,(H,29,30,32);3-7,9,11-12,19,24-25H,8,10H2,1-2H3,(H,29,32);3-10,13-14,21,24-25H,11-12H2,1-2H3,(H,27,30);2-9,11,13,20,23-24H,10,12H2,1H3;2-7,9,11-12,18,22-23H,8,10H2,1H3;2-8,11-12,18,22-23H,9-10H2,1H3/t18-,23-,24+;20-,24-,25+;2*17-,23-,24+;19-,24-,25+;21-,24-,25+;20-,23-,24+;2*18-,22-,23+/m000000000/s1.
What are the key properties of 5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one?
5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one has a molecular weight of 4075.10 g/mol, XLogP of 44.10, 57 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-[[(1S,1aR,6bR)-1-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-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-[3-(2,5-difluoro-4-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[(1S,1aR,6bR)-1-[3-(3-methylphenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;5-[[(1S,1aR,6bR)-1-[3-[4-methyl-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;4-[[(1S,1aR,6bR)-1-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2-fluoro-4-methylphenyl)propan-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(3-fluoro-4-methylphenyl)propan-2-one is sourced from PubChem (CID 157236656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).