6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide

C26H20FN5O3S — CID 90095047

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90095047) has the molecular formula C26H20FN5O3S and a molecular weight of 501.54 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 90095047
• Molecular Formula: C26H20FN5O3S
• Molecular Weight: 501.54 g/mol
• Exact Mass: 501.13
• IUPAC Name: 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Nc4cccc(S(N)(=O)=O)c4)n3c2)ccc1F
• InChI: InChI=1S/C26H20FN5O3S/c1-16-12-17(7-9-22(16)27)25-21(6-3-11-29-25)18-8-10-24-30-14-23(32(24)15-18)26(33)31-19-4-2-5-20(13-19)36(28,34)35/h2-15H,1H3,(H,31,33)(H2,28,34,35)
• InChIKey: POBZKAYHCOWYKG-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 119.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.54
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 90095047) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Nc4cccc(S(N)(=O)=O)c4)n3c2)ccc1F.

What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is POBZKAYHCOWYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O3S/c1-16-12-17(7-9-22(16)27)25-21(6-3-11-29-25)18-8-10-24-30-14-23(32(24)15-18)26(33)31-19-4-2-5-20(13-19)36(28,34)35/h2-15H,1H3,(H,31,33)(H2,28,34,35).

What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide?

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 501.54 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90095047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).