3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

C130H127Cl5F4N12O15S5 — CID 159960440

About 3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 159960440) has the molecular formula C130H127Cl5F4N12O15S5 and a molecular weight of 2511.11 g/mol. Its IUPAC name is 3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
• PubChem CID: 159960440
• Molecular Formula: C130H127Cl5F4N12O15S5
• Molecular Weight: 2511.11 g/mol
• Exact Mass: 2506.65
• IUPAC Name: 3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclohexyl]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)C5CC5C4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(C)c4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1O[C@@H]1CCCC[C@@H]1C
• InChI: InChI=1S/C28H27ClF3N3O3S.C26H26ClN3O3S.C26H25ClN2O3S.C25H24ClFN2O3S.C25H25ClN2O3S/c1-16-5-3-4-6-23(16)38-25-17(2)11-18(29)12-21(25)20-7-9-33-22-13-19(39-26(20)22)14-35-24(36)8-10-34(27(35)37)15-28(30,31)32;1-16-12-17(27)13-21(24(16)33-18-6-4-3-5-7-18)20-8-10-28-22-14-19(34-25(20)22)15-30-23(31)9-11-29(2)26(30)32;1-14-9-15(27)10-19(23(14)32-16-5-3-2-4-6-16)18-7-8-28-22-11-17(33-24(18)22)13-29-25(30)20-12-21(20)26(29)31;1-14-10-15(26)11-18(24(14)32-21-5-3-2-4-19(21)27)17-8-9-28-20-12-16(33-25(17)20)13-29-22(30)6-7-23(29)31;1-15-11-16(26)12-20(24(15)31-17-5-3-2-4-6-17)19-9-10-27-21-13-18(32-25(19)21)14-28-22(29)7-8-23(28)30/h7-13,16,23H,3-6,14-15H2,1-2H3;8-14,18H,3-7,15H2,1-2H3;7-11,16,20-21H,2-6,12-13H2,1H3;8-12,19,21H,2-7,13H2,1H3;9-13,17H,2-8,14H2,1H3/t16-,23+;;;19-,21+;/m0..0./s1
• InChIKey: ODGGYDWUZPCBAJ-LXDPWYEYSA-N
• XLogP: 31.02
• TPSA: 310.74 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2511.11
LogP ≤ 5	31.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?

The IUPAC name of 3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 159960440) is 3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

What is the SMILES notation for 3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?

The canonical SMILES for 3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclohexyl]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)C5CC5C4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1O[C@@H]1CCCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(C)c4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)sc23)c1O[C@@H]1CCCC[C@@H]1C.

What is the InChIKey of 3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?

The InChIKey is ODGGYDWUZPCBAJ-LXDPWYEYSA-N. The full InChI is InChI=1S/C28H27ClF3N3O3S.C26H26ClN3O3S.C26H25ClN2O3S.C25H24ClFN2O3S.C25H25ClN2O3S/c1-16-5-3-4-6-23(16)38-25-17(2)11-18(29)12-21(25)20-7-9-33-22-13-19(39-26(20)22)14-35-24(36)8-10-34(27(35)37)15-28(30,31)32;1-16-12-17(27)13-21(24(16)33-18-6-4-3-5-7-18)20-8-10-28-22-14-19(34-25(20)22)15-30-23(31)9-11-29(2)26(30)32;1-14-9-15(27)10-19(23(14)32-16-5-3-2-4-6-16)18-7-8-28-22-11-17(33-24(18)22)13-29-25(30)20-12-21(20)26(29)31;1-14-10-15(26)11-18(24(14)32-21-5-3-2-4-19(21)27)17-8-9-28-20-12-16(33-25(17)20)13-29-22(30)6-7-23(29)31;1-15-11-16(26)12-20(24(15)31-17-5-3-2-4-6-17)19-9-10-27-21-13-18(32-25(19)21)14-28-22(29)7-8-23(28)30/h7-13,16,23H,3-6,14-15H2,1-2H3;8-14,18H,3-7,15H2,1-2H3;7-11,16,20-21H,2-6,12-13H2,1H3;8-12,19,21H,2-7,13H2,1H3;9-13,17H,2-8,14H2,1H3/t16-,23+;;;19-,21+;/m0..0./s1.

What are the key properties of 3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?

3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 2511.11 g/mol, XLogP of 31.02, 26 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 159960440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).