3-[[4-[5-benzyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;butyl 2-[4-benzyl-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxyphenyl)phenyl]sulfonylacetate

C140H148N16O14S3 — CID 159215150

About 3-[[4-[5-benzyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;butyl 2-[4-benzyl-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxyphenyl)phenyl]sulfonylacetate

3-[[4-[5-benzyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;butyl 2-[4-benzyl-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxyphenyl)phenyl]sulfonylacetate (PubChem CID 159215150) has the molecular formula C140H148N16O14S3 and a molecular weight of 2375.02 g/mol. Its IUPAC name is 3-[[4-[5-benzyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;butyl 2-[4-benzyl-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxyphenyl)phenyl]sulfonylacetate.

Molecular Properties

• Compound Name: 3-[[4-[5-benzyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;butyl 2-[4-benzyl-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxyphenyl)phenyl]sulfonylacetate
• PubChem CID: 159215150
• Molecular Formula: C140H148N16O14S3
• Molecular Weight: 2375.02 g/mol
• Exact Mass: 2373.05
• IUPAC Name: 3-[[4-[5-benzyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;butyl 2-[4-benzyl-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxyphenyl)phenyl]sulfonylacetate
• SMILES: CCCCOC(=O)CS(=O)(=O)c1ccc(-c2cccc(OC)c2)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1.CCCCOC(=O)CS(=O)(=O)c1ccc(Cc2cccc(OC)c2)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1.CCCCOC(=O)CS(=O)(=O)c1ccc(Cc2ccccc2)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1.CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(Cc3ccccc3)ccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C37H41N3O5S.C36H39N3O5S.C36H39N3O4S.C31H29N7/c1-6-8-18-45-35(41)24-46(42,43)33-17-14-29(20-28-10-9-11-31(21-28)44-5)22-32(33)30-15-12-27(13-16-30)23-40-34(7-2)39-36-25(3)19-26(4)38-37(36)40;1-6-8-18-44-34(40)23-45(41,42)32-17-16-29(28-10-9-11-30(20-28)43-5)21-31(32)27-14-12-26(13-15-27)22-39-33(7-2)38-35-24(3)19-25(4)37-36(35)39;1-5-7-19-43-34(40)24-44(41,42)32-18-15-29(21-27-11-9-8-10-12-27)22-31(32)30-16-13-28(14-17-30)23-39-33(6-2)38-35-25(3)20-26(4)37-36(35)39;1-4-28-33-29-20(2)16-21(3)32-31(29)38(28)19-23-10-13-25(14-11-23)27-18-24(17-22-8-6-5-7-9-22)12-15-26(27)30-34-36-37-35-30/h9-17,19,21-22H,6-8,18,20,23-24H2,1-5H3;9-17,19-21H,6-8,18,22-23H2,1-5H3;8-18,20,22H,5-7,19,21,23-24H2,1-4H3;5-16,18H,4,17,19H2,1-3H3,(H,34,35,36,37)
• InChIKey: KQYWXASIUVINOU-UHFFFAOYSA-N
• XLogP: 27.29
• TPSA: 377.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 44
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2375.02
LogP ≤ 5	27.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-benzyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;butyl 2-[4-benzyl-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxyphenyl)phenyl]sulfonylacetate?

The IUPAC name of 3-[[4-[5-benzyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;butyl 2-[4-benzyl-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxyphenyl)phenyl]sulfonylacetate (CID 159215150) is 3-[[4-[5-benzyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;butyl 2-[4-benzyl-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxyphenyl)phenyl]sulfonylacetate.

What is the SMILES notation for 3-[[4-[5-benzyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;butyl 2-[4-benzyl-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxyphenyl)phenyl]sulfonylacetate?

The canonical SMILES for 3-[[4-[5-benzyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;butyl 2-[4-benzyl-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxyphenyl)phenyl]sulfonylacetate is CCCCOC(=O)CS(=O)(=O)c1ccc(-c2cccc(OC)c2)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1.CCCCOC(=O)CS(=O)(=O)c1ccc(Cc2cccc(OC)c2)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1.CCCCOC(=O)CS(=O)(=O)c1ccc(Cc2ccccc2)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1.CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(Cc3ccccc3)ccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 3-[[4-[5-benzyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;butyl 2-[4-benzyl-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxyphenyl)phenyl]sulfonylacetate?

The InChIKey is KQYWXASIUVINOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N3O5S.C36H39N3O5S.C36H39N3O4S.C31H29N7/c1-6-8-18-45-35(41)24-46(42,43)33-17-14-29(20-28-10-9-11-31(21-28)44-5)22-32(33)30-15-12-27(13-16-30)23-40-34(7-2)39-36-25(3)19-26(4)38-37(36)40;1-6-8-18-44-34(40)23-45(41,42)32-17-16-29(28-10-9-11-30(20-28)43-5)21-31(32)27-14-12-26(13-15-27)22-39-33(7-2)38-35-24(3)19-25(4)37-36(35)39;1-5-7-19-43-34(40)24-44(41,42)32-18-15-29(21-27-11-9-8-10-12-27)22-31(32)30-16-13-28(14-17-30)23-39-33(6-2)38-35-25(3)20-26(4)37-36(35)39;1-4-28-33-29-20(2)16-21(3)32-31(29)38(28)19-23-10-13-25(14-11-23)27-18-24(17-22-8-6-5-7-9-22)12-15-26(27)30-34-36-37-35-30/h9-17,19,21-22H,6-8,18,20,23-24H2,1-5H3;9-17,19-21H,6-8,18,22-23H2,1-5H3;8-18,20,22H,5-7,19,21,23-24H2,1-4H3;5-16,18H,4,17,19H2,1-3H3,(H,34,35,36,37).

What are the key properties of 3-[[4-[5-benzyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;butyl 2-[4-benzyl-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxyphenyl)phenyl]sulfonylacetate?

3-[[4-[5-benzyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;butyl 2-[4-benzyl-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxyphenyl)phenyl]sulfonylacetate has a molecular weight of 2375.02 g/mol, XLogP of 27.29, 44 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[5-benzyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;butyl 2-[4-benzyl-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylacetate;butyl 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(3-methoxyphenyl)phenyl]sulfonylacetate is sourced from PubChem (CID 159215150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).