5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)

C247H213F6N19O42S10 — CID 158673937

IUPAC5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)
SMILESCC1(C)CC=C(c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)CC1.COc1cc(Oc2cccc3c2CCC3Oc2ccc(C3=CC(=O)NS3=O)cc2)ccn1.COc1ccc(-c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c(C)n1.COc1ncc(-c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1.Cc1ncccc1Oc1cccc2c1CCC2Oc1ccc(C2=CC(=O)NS2=O)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1C=C(c2ccc(OC3CCc4c(Oc5ccccc5)cccc43)cc2)S(=O)N1.O=C1C=C(c2ccc(OC3CCc4c(Oc5ccncc5)cccc43)cc2)S(=O)N1.O=C1C=C(c2ccc(O[C@@H]3CCc4c(-c5ccc(N6CCCCC6)nc5)cccc43)cc2)S(=O)N1.O=C1C=C(c2ccc(O[C@@H]3CCc4c(-c5ccncc5)cccc43)cc2)S(=O)N1.O=C1C=C(c2ccc(O[C@@H]3CCc4c(C5=CCOCC5)cccc43)cc2)S(=O)N1
InChIInChI=1S/C28H27N3O3S.C26H27NO3S.C25H22N2O4S.C24H20N2O5S.C24H20N2O4S.C24H19NO4S.C23H19N3O4S.C23H18N2O4S.C23H18N2O3S.C23H21NO4S.2C2HF3O2/c32-28-17-26(35(33)30-28)19-7-10-21(11-8-19)34-25-13-12-23-22(5-4-6-24(23)25)20-9-14-27(29-18-20)31-15-2-1-3-16-31;1-26(2)14-12-17(13-15-26)20-4-3-5-22-21(20)10-11-23(22)30-19-8-6-18(7-9-19)24-16-25(28)27-31(24)29;1-15-18(11-13-25(26-15)30-2)19-4-3-5-21-20(19)10-12-22(21)31-17-8-6-16(7-9-17)23-14-24(28)27-32(23)29;1-29-24-13-17(11-12-25-24)31-20-4-2-3-18-19(20)9-10-21(18)30-16-7-5-15(6-8-16)22-14-23(27)26-32(22)28;1-15-20(6-3-13-25-15)30-21-5-2-4-18-19(21)11-12-22(18)29-17-9-7-16(8-10-17)23-14-24(27)26-31(23)28;26-24-15-23(30(27)25-24)16-9-11-18(12-10-16)29-22-14-13-20-19(22)7-4-8-21(20)28-17-5-2-1-3-6-17;1-29-23-24-12-15(13-25-23)17-3-2-4-19-18(17)9-10-20(19)30-16-7-5-14(6-8-16)21-11-22(27)26-31(21)28;26-23-14-22(30(27)25-23)15-4-6-16(7-5-15)28-21-9-8-19-18(21)2-1-3-20(19)29-17-10-12-24-13-11-17;26-23-14-22(29(27)25-23)16-4-6-17(7-5-16)28-21-9-8-19-18(2-1-3-20(19)21)15-10-12-24-13-11-15;25-23-14-22(29(26)24-23)16-4-6-17(7-5-16)28-21-9-8-19-18(2-1-3-20(19)21)15-10-12-27-13-11-15;2*3-2(4,5)1(6)7/h4-11,14,17-18,25H,1-3,12-13,15-16H2,(H,30,32);3-9,12,16,23H,10-11,13-15H2,1-2H3,(H,27,28);3-9,11,13-14,22H,10,12H2,1-2H3,(H,27,28);2-8,11-14,21H,9-10H2,1H3,(H,26,27);2-10,13-14,22H,11-12H2,1H3,(H,26,27);1-12,15,22H,13-14H2,(H,25,26);2-8,11-13,20H,9-10H2,1H3,(H,26,27);1-7,10-14,21H,8-9H2,(H,25,26);1-7,10-14,21H,8-9H2,(H,25,26);1-7,10,14,21H,8-9,11-13H2,(H,24,25);2*(H,6,7)/t25-,35?;23-,31?;22-,32?;;;;20-,31?;;2*21-,29?;;/m111...1.11../s1
InChIKeyAYIGEWLBYOTYEZ-SPPJCVQASA-N
MW4554.17 g/mol
LogP44.17
Rot. Bonds48

About 5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)

5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid) (PubChem CID 158673937) has the molecular formula C247H213F6N19O42S10 and a molecular weight of 4554.17 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)
PubChem CID158673937
Molecular FormulaC247H213F6N19O42S10
Molecular Weight4554.17 g/mol
Exact Mass4550.22
IUPAC Name5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)
SMILESCC1(C)CC=C(c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)CC1.COc1cc(Oc2cccc3c2CCC3Oc2ccc(C3=CC(=O)NS3=O)cc2)ccn1.COc1ccc(-c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c(C)n1.COc1ncc(-c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1.Cc1ncccc1Oc1cccc2c1CCC2Oc1ccc(C2=CC(=O)NS2=O)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1C=C(c2ccc(OC3CCc4c(Oc5ccccc5)cccc43)cc2)S(=O)N1.O=C1C=C(c2ccc(OC3CCc4c(Oc5ccncc5)cccc43)cc2)S(=O)N1.O=C1C=C(c2ccc(O[C@@H]3CCc4c(-c5ccc(N6CCCCC6)nc5)cccc43)cc2)S(=O)N1.O=C1C=C(c2ccc(O[C@@H]3CCc4c(-c5ccncc5)cccc43)cc2)S(=O)N1.O=C1C=C(c2ccc(O[C@@H]3CCc4c(C5=CCOCC5)cccc43)cc2)S(=O)N1
InChIInChI=1S/C28H27N3O3S.C26H27NO3S.C25H22N2O4S.C24H20N2O5S.C24H20N2O4S.C24H19NO4S.C23H19N3O4S.C23H18N2O4S.C23H18N2O3S.C23H21NO4S.2C2HF3O2/c32-28-17-26(35(33)30-28)19-7-10-21(11-8-19)34-25-13-12-23-22(5-4-6-24(23)25)20-9-14-27(29-18-20)31-15-2-1-3-16-31;1-26(2)14-12-17(13-15-26)20-4-3-5-22-21(20)10-11-23(22)30-19-8-6-18(7-9-19)24-16-25(28)27-31(24)29;1-15-18(11-13-25(26-15)30-2)19-4-3-5-21-20(19)10-12-22(21)31-17-8-6-16(7-9-17)23-14-24(28)27-32(23)29;1-29-24-13-17(11-12-25-24)31-20-4-2-3-18-19(20)9-10-21(18)30-16-7-5-15(6-8-16)22-14-23(27)26-32(22)28;1-15-20(6-3-13-25-15)30-21-5-2-4-18-19(21)11-12-22(18)29-17-9-7-16(8-10-17)23-14-24(27)26-31(23)28;26-24-15-23(30(27)25-24)16-9-11-18(12-10-16)29-22-14-13-20-19(22)7-4-8-21(20)28-17-5-2-1-3-6-17;1-29-23-24-12-15(13-25-23)17-3-2-4-19-18(17)9-10-20(19)30-16-7-5-14(6-8-16)21-11-22(27)26-31(21)28;26-23-14-22(30(27)25-23)15-4-6-16(7-5-15)28-21-9-8-19-18(21)2-1-3-20(19)29-17-10-12-24-13-11-17;26-23-14-22(29(27)25-23)16-4-6-17(7-5-16)28-21-9-8-19-18(2-1-3-20(19)21)15-10-12-24-13-11-15;25-23-14-22(29(26)24-23)16-4-6-17(7-5-16)28-21-9-8-19-18(2-1-3-20(19)21)15-10-12-27-13-11-15;2*3-2(4,5)1(6)7/h4-11,14,17-18,25H,1-3,12-13,15-16H2,(H,30,32);3-9,12,16,23H,10-11,13-15H2,1-2H3,(H,27,28);3-9,11,13-14,22H,10,12H2,1-2H3,(H,27,28);2-8,11-14,21H,9-10H2,1H3,(H,26,27);2-10,13-14,22H,11-12H2,1H3,(H,26,27);1-12,15,22H,13-14H2,(H,25,26);2-8,11-13,20H,9-10H2,1H3,(H,26,27);1-7,10-14,21H,8-9H2,(H,25,26);1-7,10-14,21H,8-9H2,(H,25,26);1-7,10,14,21H,8-9,11-13H2,(H,24,25);2*(H,6,7)/t25-,35?;23-,31?;22-,32?;;;;20-,31?;;2*21-,29?;;/m111...1.11../s1
InChIKeyAYIGEWLBYOTYEZ-SPPJCVQASA-N
XLogP44.17
TPSA808.80 Ų
H-Bond Donors12
H-Bond Acceptors49
Rotatable Bonds48
Heavy Atoms324
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004554.17
LogP ≤ 544.17
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1049

Analyze 5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid) with MolForge

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What is the IUPAC name of 5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid) (CID 158673937) is 5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid) is CC1(C)CC=C(c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)CC1.COc1cc(Oc2cccc3c2CCC3Oc2ccc(C3=CC(=O)NS3=O)cc2)ccn1.COc1ccc(-c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c(C)n1.COc1ncc(-c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cn1.Cc1ncccc1Oc1cccc2c1CCC2Oc1ccc(C2=CC(=O)NS2=O)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1C=C(c2ccc(OC3CCc4c(Oc5ccccc5)cccc43)cc2)S(=O)N1.O=C1C=C(c2ccc(OC3CCc4c(Oc5ccncc5)cccc43)cc2)S(=O)N1.O=C1C=C(c2ccc(O[C@@H]3CCc4c(-c5ccc(N6CCCCC6)nc5)cccc43)cc2)S(=O)N1.O=C1C=C(c2ccc(O[C@@H]3CCc4c(-c5ccncc5)cccc43)cc2)S(=O)N1.O=C1C=C(c2ccc(O[C@@H]3CCc4c(C5=CCOCC5)cccc43)cc2)S(=O)N1.
What is the InChIKey of 5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is AYIGEWLBYOTYEZ-SPPJCVQASA-N. The full InChI is InChI=1S/C28H27N3O3S.C26H27NO3S.C25H22N2O4S.C24H20N2O5S.C24H20N2O4S.C24H19NO4S.C23H19N3O4S.C23H18N2O4S.C23H18N2O3S.C23H21NO4S.2C2HF3O2/c32-28-17-26(35(33)30-28)19-7-10-21(11-8-19)34-25-13-12-23-22(5-4-6-24(23)25)20-9-14-27(29-18-20)31-15-2-1-3-16-31;1-26(2)14-12-17(13-15-26)20-4-3-5-22-21(20)10-11-23(22)30-19-8-6-18(7-9-19)24-16-25(28)27-31(24)29;1-15-18(11-13-25(26-15)30-2)19-4-3-5-21-20(19)10-12-22(21)31-17-8-6-16(7-9-17)23-14-24(28)27-32(23)29;1-29-24-13-17(11-12-25-24)31-20-4-2-3-18-19(20)9-10-21(18)30-16-7-5-15(6-8-16)22-14-23(27)26-32(22)28;1-15-20(6-3-13-25-15)30-21-5-2-4-18-19(21)11-12-22(18)29-17-9-7-16(8-10-17)23-14-24(27)26-31(23)28;26-24-15-23(30(27)25-24)16-9-11-18(12-10-16)29-22-14-13-20-19(22)7-4-8-21(20)28-17-5-2-1-3-6-17;1-29-23-24-12-15(13-25-23)17-3-2-4-19-18(17)9-10-20(19)30-16-7-5-14(6-8-16)21-11-22(27)26-31(21)28;26-23-14-22(30(27)25-23)15-4-6-16(7-5-15)28-21-9-8-19-18(21)2-1-3-20(19)29-17-10-12-24-13-11-17;26-23-14-22(29(27)25-23)16-4-6-17(7-5-16)28-21-9-8-19-18(2-1-3-20(19)21)15-10-12-24-13-11-15;25-23-14-22(29(26)24-23)16-4-6-17(7-5-16)28-21-9-8-19-18(2-1-3-20(19)21)15-10-12-27-13-11-15;2*3-2(4,5)1(6)7/h4-11,14,17-18,25H,1-3,12-13,15-16H2,(H,30,32);3-9,12,16,23H,10-11,13-15H2,1-2H3,(H,27,28);3-9,11,13-14,22H,10,12H2,1-2H3,(H,27,28);2-8,11-14,21H,9-10H2,1H3,(H,26,27);2-10,13-14,22H,11-12H2,1H3,(H,26,27);1-12,15,22H,13-14H2,(H,25,26);2-8,11-13,20H,9-10H2,1H3,(H,26,27);1-7,10-14,21H,8-9H2,(H,25,26);1-7,10-14,21H,8-9H2,(H,25,26);1-7,10,14,21H,8-9,11-13H2,(H,24,25);2*(H,6,7)/t25-,35?;23-,31?;22-,32?;;;;20-,31?;;2*21-,29?;;/m111...1.11../s1.
What are the key properties of 5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid)?
5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 4554.17 g/mol, XLogP of 44.17, 48 rotatable bonds, 12 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(1R)-4-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(4,4-dimethylcyclohexen-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[(1R)-4-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[4-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[(4-phenoxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-(6-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-pyridin-4-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one;1-oxo-5-[4-[(4-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1,2-thiazol-3-one;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 158673937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).