6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;6-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine;1-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N,N-dimethylmethanesulfonamide

C54H56BBr2Cl3IN15O8S3 — CID 160674883

About 6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;6-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine;1-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N,N-dimethylmethanesulfonamide

6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;6-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine;1-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N,N-dimethylmethanesulfonamide (PubChem CID 160674883) has the molecular formula C54H56BBr2Cl3IN15O8S3 and a molecular weight of 1543.22 g/mol. Its IUPAC name is 6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;6-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine;1-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

• Compound Name: 6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;6-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine;1-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N,N-dimethylmethanesulfonamide
• PubChem CID: 160674883
• Molecular Formula: C54H56BBr2Cl3IN15O8S3
• Molecular Weight: 1543.22 g/mol
• Exact Mass: 1539.02
• IUPAC Name: 6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;6-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine;1-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N,N-dimethylmethanesulfonamide
• SMILES: Brc1ccc2ncc(I)n2c1.CN(C)S(=O)(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl.CN(C)S(=O)(=O)Nc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1Cl.CN(C)S(=O)(=O)Nc1cc(-c2cnc3ccc(Br)cn23)cnc1Cl
• InChI: InChI=1S/C19H17ClN6O2S.C14H22BClN2O4S.C14H13BrClN5O2S.C7H4BrIN2/c1-25(2)29(27,28)24-16-9-15(10-23-19(16)20)17-11-22-18-4-3-14(12-26(17)18)13-5-7-21-8-6-13;1-13(2)14(3,4)22-15(21-13)11-7-10(12(16)17-8-11)9-23(19,20)18(5)6;1-20(2)24(22,23)19-11-5-9(6-18-14(11)16)12-7-17-13-4-3-10(15)8-21(12)13;8-5-1-2-7-10-3-6(9)11(7)4-5/h3-12,24H,1-2H3;7-8H,9H2,1-6H3;3-8,19H,1-2H3;1-4H
• InChIKey: RNKCURZBIRUPOO-UHFFFAOYSA-N
• XLogP: 10.49
• TPSA: 258.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1543.22
LogP ≤ 5	10.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;6-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine;1-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N,N-dimethylmethanesulfonamide?

The IUPAC name of 6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;6-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine;1-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N,N-dimethylmethanesulfonamide (CID 160674883) is 6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;6-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine;1-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N,N-dimethylmethanesulfonamide.

What is the SMILES notation for 6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;6-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine;1-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N,N-dimethylmethanesulfonamide?

The canonical SMILES for 6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;6-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine;1-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N,N-dimethylmethanesulfonamide is Brc1ccc2ncc(I)n2c1.CN(C)S(=O)(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl.CN(C)S(=O)(=O)Nc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1Cl.CN(C)S(=O)(=O)Nc1cc(-c2cnc3ccc(Br)cn23)cnc1Cl.

What is the InChIKey of 6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;6-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine;1-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N,N-dimethylmethanesulfonamide?

The InChIKey is RNKCURZBIRUPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2S.C14H22BClN2O4S.C14H13BrClN5O2S.C7H4BrIN2/c1-25(2)29(27,28)24-16-9-15(10-23-19(16)20)17-11-22-18-4-3-14(12-26(17)18)13-5-7-21-8-6-13;1-13(2)14(3,4)22-15(21-13)11-7-10(12(16)17-8-11)9-23(19,20)18(5)6;1-20(2)24(22,23)19-11-5-9(6-18-14(11)16)12-7-17-13-4-3-10(15)8-21(12)13;8-5-1-2-7-10-3-6(9)11(7)4-5/h3-12,24H,1-2H3;7-8H,9H2,1-6H3;3-8,19H,1-2H3;1-4H.

What are the key properties of 6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;6-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine;1-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N,N-dimethylmethanesulfonamide?

6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;6-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine;1-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N,N-dimethylmethanesulfonamide has a molecular weight of 1543.22 g/mol, XLogP of 10.49, 13 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;6-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine;1-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 160674883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).