About (1S)-1-[7-(4-chlorophenyl)-2-[2-(2-methoxyquinolin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1,2-dimethylindazol-3-one;2-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,3-dimethylimidazo[4,5-b]pyridin-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-quinolin-2-one
(1S)-1-[7-(4-chlorophenyl)-2-[2-(2-methoxyquinolin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1,2-dimethylindazol-3-one;2-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,3-dimethylimidazo[4,5-b]pyridin-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-quinolin-2-one (PubChem CID 157291678) has the molecular formula C168H159Cl5N18O15S5
and a molecular weight of 3007.83 g/mol. Its IUPAC name is (1S)-1-[7-(4-chlorophenyl)-2-[2-(2-methoxyquinolin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1,2-dimethylindazol-3-one;2-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,3-dimethylimidazo[4,5-b]pyridin-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-quinolin-2-one.
Frequently Asked Questions
What is the IUPAC name of (1S)-1-[7-(4-chlorophenyl)-2-[2-(2-methoxyquinolin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1,2-dimethylindazol-3-one;2-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,3-dimethylimidazo[4,5-b]pyridin-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-quinolin-2-one?
The IUPAC name of (1S)-1-[7-(4-chlorophenyl)-2-[2-(2-methoxyquinolin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1,2-dimethylindazol-3-one;2-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,3-dimethylimidazo[4,5-b]pyridin-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-quinolin-2-one (CID 157291678) is (1S)-1-[7-(4-chlorophenyl)-2-[2-(2-methoxyquinolin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1,2-dimethylindazol-3-one;2-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,3-dimethylimidazo[4,5-b]pyridin-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-quinolin-2-one.
What is the SMILES notation for (1S)-1-[7-(4-chlorophenyl)-2-[2-(2-methoxyquinolin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1,2-dimethylindazol-3-one;2-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,3-dimethylimidazo[4,5-b]pyridin-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-quinolin-2-one?
The canonical SMILES for (1S)-1-[7-(4-chlorophenyl)-2-[2-(2-methoxyquinolin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1,2-dimethylindazol-3-one;2-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,3-dimethylimidazo[4,5-b]pyridin-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-quinolin-2-one is CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)c(=O)n(C)n4C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc5ccc(=O)[nH]c5c4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4cnc5c(c4)n(C)c(=O)n5C)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(N4CC5CCCCN5C4=O)c3)sc2c1-c1ccc(Cl)cc1.COc1ccc2cc(-c3cc(-c4nc5cc(C)c([C@H](OC(C)(C)C)C(C)=O)c(-c6ccc(Cl)cc6)c5s4)ccn3)ccc2n1.
What is the InChIKey of (1S)-1-[7-(4-chlorophenyl)-2-[2-(2-methoxyquinolin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1,2-dimethylindazol-3-one;2-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,3-dimethylimidazo[4,5-b]pyridin-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-quinolin-2-one?
The InChIKey is BAWLDWWFPFEYSP-AEOIFEKSSA-N. The full InChI is InChI=1S/C36H32ClN3O3S.C35H30ClN3O3S.C34H32ClN5O3S.C33H35ClN4O3S.C30H30ClN3O3S/c1-20-17-29-34(32(22-7-11-26(37)12-8-22)31(20)33(21(2)41)43-36(3,4)5)44-35(40-29)25-15-16-38-28(19-25)24-9-13-27-23(18-24)10-14-30(39-27)42-6;1-19-16-28-33(31(22-8-11-25(36)12-9-22)30(19)32(20(2)40)42-35(3,4)5)43-34(39-28)24-14-15-37-26(18-24)23-7-6-21-10-13-29(41)38-27(21)17-23;1-18-14-25-30(28(20-8-10-23(35)11-9-20)27(18)29(19(2)41)43-34(3,4)5)44-32(38-25)21-12-13-36-24(15-21)22-16-26-31(37-17-22)40(7)33(42)39(26)6;1-19-16-25-30(28(21-9-11-23(34)12-10-21)27(19)29(20(2)39)41-33(3,4)5)42-31(36-25)22-13-14-35-26(17-22)38-18-24-8-6-7-15-37(24)32(38)40;1-16-14-22-27(38-28(32-22)19-10-13-23-21(15-19)29(36)34(7)33(23)6)25(18-8-11-20(31)12-9-18)24(16)26(17(2)35)37-30(3,4)5/h7-19,33H,1-6H3;6-18,32H,1-5H3,(H,38,41);8-17,29H,1-7H3;9-14,16-17,24,29H,6-8,15,18H2,1-5H3;8-15,26H,1-7H3/t33-;32-;29-;24?,29-;26-/m11111/s1.
What are the key properties of (1S)-1-[7-(4-chlorophenyl)-2-[2-(2-methoxyquinolin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1,2-dimethylindazol-3-one;2-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,3-dimethylimidazo[4,5-b]pyridin-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-quinolin-2-one?
(1S)-1-[7-(4-chlorophenyl)-2-[2-(2-methoxyquinolin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1,2-dimethylindazol-3-one;2-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,3-dimethylimidazo[4,5-b]pyridin-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-quinolin-2-one has a molecular weight of 3007.83 g/mol, XLogP of 41.74, 30 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[7-(4-chlorophenyl)-2-[2-(2-methoxyquinolin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1,2-dimethylindazol-3-one;2-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,3-dimethylimidazo[4,5-b]pyridin-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-quinolin-2-one is sourced from PubChem (CID 157291678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).