tris(1-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);3-[[7-[5-chloro-2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-(oxepan-3-yloxy)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[1-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[2-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

C187H182Cl7F15N18O22S7 — CID 160677295

About tris(1-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);3-[[7-[5-chloro-2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-(oxepan-3-yloxy)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[1-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[2-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

tris(1-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);3-[[7-[5-chloro-2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-(oxepan-3-yloxy)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[1-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[2-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 160677295) has the molecular formula C187H182Cl7F15N18O22S7 and a molecular weight of 3791.23 g/mol. Its IUPAC name is tris(1-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);3-[[7-[5-chloro-2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-(oxepan-3-yloxy)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[1-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[2-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: tris(1-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);3-[[7-[5-chloro-2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-(oxepan-3-yloxy)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[1-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[2-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
• PubChem CID: 160677295
• Molecular Formula: C187H182Cl7F15N18O22S7
• Molecular Weight: 3791.23 g/mol
• Exact Mass: 3784.93
• IUPAC Name: tris(1-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);3-[[7-[5-chloro-2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-(oxepan-3-yloxy)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[1-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[2-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
• SMILES: Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCCOC1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1OC1(C(F)(F)F)CCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1OC1CCCCC1C(F)(F)F.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1O[C@@H]1CCN(C)C[C@@H]1C
• InChI: InChI=1S/2C28H24ClF6N3O3S.C28H28ClF3N4O3S.3C26H27ClN2O3S.C25H25ClN2O4S/c1-16-11-17(29)12-20(23(16)41-26(28(33,34)35)7-3-2-4-8-26)19-5-9-36-21-13-18(42-24(19)21)14-38-22(39)6-10-37(25(38)40)15-27(30,31)32;1-15-10-16(29)11-19(24(15)41-22-5-3-2-4-20(22)28(33,34)35)18-6-8-36-21-12-17(42-25(18)21)13-38-23(39)7-9-37(26(38)40)14-27(30,31)32;1-16-10-18(29)11-21(25(16)39-23-5-8-34(3)13-17(23)2)20-4-7-33-22-12-19(40-26(20)22)14-36-24(37)6-9-35(27(36)38)15-28(30,31)32;3*1-16-12-17(27)13-21(25(16)32-18-6-4-2-3-5-7-18)20-10-11-28-22-14-19(33-26(20)22)15-29-23(30)8-9-24(29)31;1-15-10-16(26)11-20(24(15)32-17-4-2-3-9-31-14-17)19-7-8-27-21-12-18(33-25(19)21)13-28-22(29)5-6-23(28)30/h5-6,9-13H,2-4,7-8,14-15H2,1H3;6-12,20,22H,2-5,13-14H2,1H3;4,6-7,9-12,17,23H,5,8,13-15H2,1-3H3;3*10-14,18H,2-9,15H2,1H3;7-8,10-12,17H,2-6,9,13-14H2,1H3/t;;17-,23+;;;;/m..0..../s1
• InChIKey: RNRTWFWRVHOGIN-MUUZWZGKSA-N
• XLogP: 45.99
• TPSA: 448.83 Ų
• H-Bond Acceptors: 43
• Rotatable Bonds: 38
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3791.23
LogP ≤ 5	45.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(1-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);3-[[7-[5-chloro-2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-(oxepan-3-yloxy)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[1-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[2-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?

The IUPAC name of tris(1-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);3-[[7-[5-chloro-2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-(oxepan-3-yloxy)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[1-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[2-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 160677295) is tris(1-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);3-[[7-[5-chloro-2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-(oxepan-3-yloxy)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[1-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[2-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

What is the SMILES notation for tris(1-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);3-[[7-[5-chloro-2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-(oxepan-3-yloxy)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[1-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[2-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?

The canonical SMILES for tris(1-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);3-[[7-[5-chloro-2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-(oxepan-3-yloxy)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[1-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[2-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCCOC1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1OC1(C(F)(F)F)CCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1OC1CCCCC1C(F)(F)F.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1O[C@@H]1CCN(C)C[C@@H]1C.

What is the InChIKey of tris(1-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);3-[[7-[5-chloro-2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-(oxepan-3-yloxy)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[1-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[2-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?

The InChIKey is RNRTWFWRVHOGIN-MUUZWZGKSA-N. The full InChI is InChI=1S/2C28H24ClF6N3O3S.C28H28ClF3N4O3S.3C26H27ClN2O3S.C25H25ClN2O4S/c1-16-11-17(29)12-20(23(16)41-26(28(33,34)35)7-3-2-4-8-26)19-5-9-36-21-13-18(42-24(19)21)14-38-22(39)6-10-37(25(38)40)15-27(30,31)32;1-15-10-16(29)11-19(24(15)41-22-5-3-2-4-20(22)28(33,34)35)18-6-8-36-21-12-17(42-25(18)21)13-38-23(39)7-9-37(26(38)40)14-27(30,31)32;1-16-10-18(29)11-21(25(16)39-23-5-8-34(3)13-17(23)2)20-4-7-33-22-12-19(40-26(20)22)14-36-24(37)6-9-35(27(36)38)15-28(30,31)32;3*1-16-12-17(27)13-21(25(16)32-18-6-4-2-3-5-7-18)20-10-11-28-22-14-19(33-26(20)22)15-29-23(30)8-9-24(29)31;1-15-10-16(26)11-20(24(15)32-17-4-2-3-9-31-14-17)19-7-8-27-21-12-18(33-25(19)21)13-28-22(29)5-6-23(28)30/h5-6,9-13H,2-4,7-8,14-15H2,1H3;6-12,20,22H,2-5,13-14H2,1H3;4,6-7,9-12,17,23H,5,8,13-15H2,1-3H3;3*10-14,18H,2-9,15H2,1H3;7-8,10-12,17H,2-6,9,13-14H2,1H3/t;;17-,23+;;;;/m..0..../s1.

What are the key properties of tris(1-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);3-[[7-[5-chloro-2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-(oxepan-3-yloxy)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[1-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[2-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?

tris(1-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);3-[[7-[5-chloro-2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-(oxepan-3-yloxy)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[1-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[2-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 3791.23 g/mol, XLogP of 45.99, 38 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for tris(1-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);3-[[7-[5-chloro-2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;1-[[7-[5-chloro-3-methyl-2-(oxepan-3-yloxy)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[1-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-[2-(trifluoromethyl)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 160677295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).