5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide

C82H61F8N12O4+ — CID 159838766

About 5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide

5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 159838766) has the molecular formula C82H61F8N12O4+ and a molecular weight of 1430.45 g/mol. Its IUPAC name is 5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
• PubChem CID: 159838766
• Molecular Formula: C82H61F8N12O4+
• Molecular Weight: 1430.45 g/mol
• Exact Mass: 1429.48
• IUPAC Name: 5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
• SMILES: Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ncc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cncc(F)c5)c(CO)nc34)cnc2C)cc1.Cc1ccc(NC(=O)c2cc(C3=CC=CC4C(c5cccc(F)c5F)=CN=[N+]34)ccc2C(F)(F)F)cc1
• InChI: InChI=1S/C28H18F5N3O.C27H20F2N4O.C27H22FN5O2/c1-16-8-11-18(12-9-16)35-27(37)20-14-17(10-13-22(20)28(31,32)33)24-6-3-7-25-21(15-34-36(24)25)19-4-2-5-23(29)26(19)30;1-16-8-10-18(11-9-16)32-27(34)21-13-23(30-14-17(21)2)19-6-4-12-33-24(15-31-26(19)33)20-5-3-7-22(28)25(20)29;1-16-5-7-21(8-6-16)31-27(35)23-11-18(13-30-17(23)2)22-4-3-9-33-25(24(15-34)32-26(22)33)19-10-20(28)14-29-12-19/h2-15,25H,1H3;3-15H,1-2H3,(H,32,34);3-14,34H,15H2,1-2H3,(H,31,35)/p+1
• InChIKey: WKYBPYZJNIPYKM-UHFFFAOYSA-O
• XLogP: 18.51
• TPSA: 196.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1430.45
LogP ≤ 5	18.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?

The IUPAC name of 5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide (CID 159838766) is 5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide.

What is the SMILES notation for 5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?

The canonical SMILES for 5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ncc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cncc(F)c5)c(CO)nc34)cnc2C)cc1.Cc1ccc(NC(=O)c2cc(C3=CC=CC4C(c5cccc(F)c5F)=CN=[N+]34)ccc2C(F)(F)F)cc1.

What is the InChIKey of 5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?

The InChIKey is WKYBPYZJNIPYKM-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H18F5N3O.C27H20F2N4O.C27H22FN5O2/c1-16-8-11-18(12-9-16)35-27(37)20-14-17(10-13-22(20)28(31,32)33)24-6-3-7-25-21(15-34-36(24)25)19-4-2-5-23(29)26(19)30;1-16-8-10-18(11-9-16)32-27(34)21-13-23(30-14-17(21)2)19-6-4-12-33-24(15-31-26(19)33)20-5-3-7-22(28)25(20)29;1-16-5-7-21(8-6-16)31-27(35)23-11-18(13-30-17(23)2)22-4-3-9-33-25(24(15-34)32-26(22)33)19-10-20(28)14-29-12-19/h2-15,25H,1H3;3-15H,1-2H3,(H,32,34);3-14,34H,15H2,1-2H3,(H,31,35)/p+1.

What are the key properties of 5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?

5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 1430.45 g/mol, XLogP of 18.51, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 159838766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).