3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-ethyl-1,2,4-oxadiazole;N-[5-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide

C50H48BBrN12O8S2 — CID 159584829

About 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-ethyl-1,2,4-oxadiazole;N-[5-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide

3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-ethyl-1,2,4-oxadiazole;N-[5-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 159584829) has the molecular formula C50H48BBrN12O8S2 and a molecular weight of 1099.86 g/mol. Its IUPAC name is 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-ethyl-1,2,4-oxadiazole;N-[5-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-ethyl-1,2,4-oxadiazole;N-[5-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide
• PubChem CID: 159584829
• Molecular Formula: C50H48BBrN12O8S2
• Molecular Weight: 1099.86 g/mol
• Exact Mass: 1098.24
• IUPAC Name: 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-ethyl-1,2,4-oxadiazole;N-[5-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide
• SMILES: CC1(C)OB(c2cncc(NS(=O)(=O)c3ccccc3)c2)OC1(C)C.CCc1nc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cn23)no1.CCc1nc(-c2cnc3ccc(Br)cn23)no1
• InChI: InChI=1S/C22H18N6O3S.C17H21BN2O4S.C11H9BrN4O/c1-2-21-25-22(26-31-21)19-13-24-20-9-8-15(14-28(19)20)16-10-17(12-23-11-16)27-32(29,30)18-6-4-3-5-7-18;1-16(2)17(3,4)24-18(23-16)13-10-14(12-19-11-13)20-25(21,22)15-8-6-5-7-9-15;1-2-10-14-11(15-17-10)8-5-13-9-4-3-7(12)6-16(8)9/h3-14,27H,2H2,1H3;5-12,20H,1-4H3;3-6H,2H2,1H3
• InChIKey: MJMCTOACWDOTMP-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 249.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1099.86
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-ethyl-1,2,4-oxadiazole;N-[5-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide?

The IUPAC name of 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-ethyl-1,2,4-oxadiazole;N-[5-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide (CID 159584829) is 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-ethyl-1,2,4-oxadiazole;N-[5-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide.

What is the SMILES notation for 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-ethyl-1,2,4-oxadiazole;N-[5-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide?

The canonical SMILES for 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-ethyl-1,2,4-oxadiazole;N-[5-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide is CC1(C)OB(c2cncc(NS(=O)(=O)c3ccccc3)c2)OC1(C)C.CCc1nc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cn23)no1.CCc1nc(-c2cnc3ccc(Br)cn23)no1.

What is the InChIKey of 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-ethyl-1,2,4-oxadiazole;N-[5-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide?

The InChIKey is MJMCTOACWDOTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O3S.C17H21BN2O4S.C11H9BrN4O/c1-2-21-25-22(26-31-21)19-13-24-20-9-8-15(14-28(19)20)16-10-17(12-23-11-16)27-32(29,30)18-6-4-3-5-7-18;1-16(2)17(3,4)24-18(23-16)13-10-14(12-19-11-13)20-25(21,22)15-8-6-5-7-9-15;1-2-10-14-11(15-17-10)8-5-13-9-4-3-7(12)6-16(8)9/h3-14,27H,2H2,1H3;5-12,20H,1-4H3;3-6H,2H2,1H3.

What are the key properties of 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-ethyl-1,2,4-oxadiazole;N-[5-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide?

3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-ethyl-1,2,4-oxadiazole;N-[5-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 1099.86 g/mol, XLogP of 8.70, 12 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-ethyl-1,2,4-oxadiazole;N-[5-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 159584829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).