3-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)pyrimidine-2,4-dione;3-[[7-[5-chloro-2-(3,3-dimethylcyclohexyl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;methane

C109H114Cl4N12O13S4 — CID 159912893

About 3-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)pyrimidine-2,4-dione;3-[[7-[5-chloro-2-(3,3-dimethylcyclohexyl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;methane

3-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)pyrimidine-2,4-dione;3-[[7-[5-chloro-2-(3,3-dimethylcyclohexyl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;methane (PubChem CID 159912893) has the molecular formula C109H114Cl4N12O13S4 and a molecular weight of 2070.26 g/mol. Its IUPAC name is 3-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)pyrimidine-2,4-dione;3-[[7-[5-chloro-2-(3,3-dimethylcyclohexyl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;methane.

Molecular Properties

• Compound Name: 3-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)pyrimidine-2,4-dione;3-[[7-[5-chloro-2-(3,3-dimethylcyclohexyl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;methane
• PubChem CID: 159912893
• Molecular Formula: C109H114Cl4N12O13S4
• Molecular Weight: 2070.26 g/mol
• Exact Mass: 2066.63
• IUPAC Name: 3-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)pyrimidine-2,4-dione;3-[[7-[5-chloro-2-(3,3-dimethylcyclohexyl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;methane
• SMILES: C.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(C)c4=O)sc23)c1OC1CC(C)C1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(C)c4=O)sc23)c1OC1CCCC(C)(C)C1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(C)c4=O)sc23)c1OC1CCCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(C5COC5)c4=O)sc23)c1OC1CCCCC1
• InChI: InChI=1S/C28H28ClN3O4S.C28H30ClN3O3S.C27H28ClN3O3S.C25H24ClN3O3S.CH4/c1-17-11-18(29)12-23(26(17)36-20-5-3-2-4-6-20)22-7-9-30-24-13-21(37-27(22)24)14-32-25(33)8-10-31(28(32)34)19-15-35-16-19;1-17-12-18(29)13-22(25(17)35-19-6-5-9-28(2,3)15-19)21-7-10-30-23-14-20(36-26(21)23)16-32-24(33)8-11-31(4)27(32)34;1-17-13-18(28)14-22(25(17)34-19-7-5-3-4-6-8-19)21-9-11-29-23-15-20(35-26(21)23)16-31-24(32)10-12-30(2)27(31)33;1-14-8-17(9-14)32-23-15(2)10-16(26)11-20(23)19-4-6-27-21-12-18(33-24(19)21)13-29-22(30)5-7-28(3)25(29)31;/h7-13,19-20H,2-6,14-16H2,1H3;7-8,10-14,19H,5-6,9,15-16H2,1-4H3;9-15,19H,3-8,16H2,1-2H3;4-7,10-12,14,17H,8-9,13H2,1-3H3;1H4
• InChIKey: NXKDIWYQKWSMSO-UHFFFAOYSA-N
• XLogP: 23.34
• TPSA: 273.71 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.26
LogP ≤ 5	23.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)pyrimidine-2,4-dione;3-[[7-[5-chloro-2-(3,3-dimethylcyclohexyl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;methane?

The IUPAC name of 3-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)pyrimidine-2,4-dione;3-[[7-[5-chloro-2-(3,3-dimethylcyclohexyl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;methane (CID 159912893) is 3-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)pyrimidine-2,4-dione;3-[[7-[5-chloro-2-(3,3-dimethylcyclohexyl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;methane.

What is the SMILES notation for 3-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)pyrimidine-2,4-dione;3-[[7-[5-chloro-2-(3,3-dimethylcyclohexyl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;methane?

The canonical SMILES for 3-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)pyrimidine-2,4-dione;3-[[7-[5-chloro-2-(3,3-dimethylcyclohexyl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;methane is C.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(C)c4=O)sc23)c1OC1CC(C)C1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(C)c4=O)sc23)c1OC1CCCC(C)(C)C1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(C)c4=O)sc23)c1OC1CCCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(C5COC5)c4=O)sc23)c1OC1CCCCC1.

What is the InChIKey of 3-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)pyrimidine-2,4-dione;3-[[7-[5-chloro-2-(3,3-dimethylcyclohexyl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;methane?

The InChIKey is NXKDIWYQKWSMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O4S.C28H30ClN3O3S.C27H28ClN3O3S.C25H24ClN3O3S.CH4/c1-17-11-18(29)12-23(26(17)36-20-5-3-2-4-6-20)22-7-9-30-24-13-21(37-27(22)24)14-32-25(33)8-10-31(28(32)34)19-15-35-16-19;1-17-12-18(29)13-22(25(17)35-19-6-5-9-28(2,3)15-19)21-7-10-30-23-14-20(36-26(21)23)16-32-24(33)8-11-31(4)27(32)34;1-17-13-18(28)14-22(25(17)34-19-7-5-3-4-6-8-19)21-9-11-29-23-15-20(35-26(21)23)16-31-24(32)10-12-30(2)27(31)33;1-14-8-17(9-14)32-23-15(2)10-16(26)11-20(23)19-4-6-27-21-12-18(33-24(19)21)13-29-22(30)5-7-28(3)25(29)31;/h7-13,19-20H,2-6,14-16H2,1H3;7-8,10-14,19H,5-6,9,15-16H2,1-4H3;9-15,19H,3-8,16H2,1-2H3;4-7,10-12,14,17H,8-9,13H2,1-3H3;1H4.

What are the key properties of 3-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)pyrimidine-2,4-dione;3-[[7-[5-chloro-2-(3,3-dimethylcyclohexyl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;methane?

3-[[7-(5-chloro-2-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)pyrimidine-2,4-dione;3-[[7-[5-chloro-2-(3,3-dimethylcyclohexyl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;methane has a molecular weight of 2070.26 g/mol, XLogP of 23.34, 21 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-cycloheptyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)pyrimidine-2,4-dione;3-[[7-[5-chloro-2-(3,3-dimethylcyclohexyl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;3-[[7-[5-chloro-3-methyl-2-(3-methylcyclobutyl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;methane is sourced from PubChem (CID 159912893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).