6-bromo-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;N-[5-[3-(2-methoxypyrimidin-5-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

C52H48BBrN12O8S2 — CID 160991030

About 6-bromo-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;N-[5-[3-(2-methoxypyrimidin-5-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

6-bromo-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;N-[5-[3-(2-methoxypyrimidin-5-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 160991030) has the molecular formula C52H48BBrN12O8S2 and a molecular weight of 1123.88 g/mol. Its IUPAC name is 6-bromo-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;N-[5-[3-(2-methoxypyrimidin-5-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: 6-bromo-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;N-[5-[3-(2-methoxypyrimidin-5-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: 160991030
• Molecular Formula: C52H48BBrN12O8S2
• Molecular Weight: 1123.88 g/mol
• Exact Mass: 1122.24
• IUPAC Name: 6-bromo-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;N-[5-[3-(2-methoxypyrimidin-5-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.COc1ncc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cn23)cn1.COc1ncc(-c2cnc3ccc(Br)cn23)cn1
• InChI: InChI=1S/C23H18N6O3S.C17H21BN2O4S.C12H9BrN4O/c1-32-23-26-11-18(12-27-23)21-14-25-22-8-7-16(15-29(21)22)17-9-19(13-24-10-17)28-33(30,31)20-5-3-2-4-6-20;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;1-18-12-15-4-8(5-16-12)10-6-14-11-3-2-9(13)7-17(10)11/h2-15,28H,1H3;5-12,20H,1-4H3;2-7H,1H3
• InChIKey: TUPVMEBLZCAZKZ-UHFFFAOYSA-N
• XLogP: 8.41
• TPSA: 241.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1123.88
LogP ≤ 5	8.41
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 6-bromo-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;N-[5-[3-(2-methoxypyrimidin-5-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 6-bromo-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;N-[5-[3-(2-methoxypyrimidin-5-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 160991030) is 6-bromo-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;N-[5-[3-(2-methoxypyrimidin-5-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 6-bromo-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;N-[5-[3-(2-methoxypyrimidin-5-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 6-bromo-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;N-[5-[3-(2-methoxypyrimidin-5-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.COc1ncc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cn23)cn1.COc1ncc(-c2cnc3ccc(Br)cn23)cn1.

What is the InChIKey of 6-bromo-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;N-[5-[3-(2-methoxypyrimidin-5-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 TUPVMEBLZCAZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3S.C17H21BN2O4S.C12H9BrN4O/c1-32-23-26-11-18(12-27-23)21-14-25-22-8-7-16(15-29(21)22)17-9-19(13-24-10-17)28-33(30,31)20-5-3-2-4-6-20;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;1-18-12-15-4-8(5-16-12)10-6-14-11-3-2-9(13)7-17(10)11/h2-15,28H,1H3;5-12,20H,1-4H3;2-7H,1H3.

What are the key properties of 6-bromo-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;N-[5-[3-(2-methoxypyrimidin-5-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?

6-bromo-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;N-[5-[3-(2-methoxypyrimidin-5-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 1123.88 g/mol, XLogP of 8.41, 12 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;N-[5-[3-(2-methoxypyrimidin-5-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 160991030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).