5-[2-(2,5-difluorophenyl)-1-methylpyrrolidin-1-ium-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide

C24H25F2N6O3S+ — CID 123564864

About 5-[2-(2,5-difluorophenyl)-1-methylpyrrolidin-1-ium-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide

5-[2-(2,5-difluorophenyl)-1-methylpyrrolidin-1-ium-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 123564864) has the molecular formula C24H25F2N6O3S+ and a molecular weight of 515.57 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)-1-methylpyrrolidin-1-ium-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(2,5-difluorophenyl)-1-methylpyrrolidin-1-ium-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 123564864
• Molecular Formula: C24H25F2N6O3S+
• Molecular Weight: 515.57 g/mol
• Exact Mass: 515.17
• IUPAC Name: 5-[2-(2,5-difluorophenyl)-1-methylpyrrolidin-1-ium-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1nc(S(=O)(=O)NC(=O)c2cnn3ccc([N+]4(C)CCCC4c4cc(F)ccc4F)cc23)cn1C
• InChI: InChI=1S/C24H24F2N6O3S/c1-15-28-23(14-30(15)2)36(34,35)29-24(33)19-13-27-31-9-8-17(12-21(19)31)32(3)10-4-5-22(32)18-11-16(25)6-7-20(18)26/h6-9,11-14,22H,4-5,10H2,1-3H3/p+1
• InChIKey: RXYBXFQJUMPXJO-UHFFFAOYSA-O
• XLogP: 3.25
• TPSA: 98.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.57
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)-1-methylpyrrolidin-1-ium-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-[2-(2,5-difluorophenyl)-1-methylpyrrolidin-1-ium-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 123564864) is 5-[2-(2,5-difluorophenyl)-1-methylpyrrolidin-1-ium-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-[2-(2,5-difluorophenyl)-1-methylpyrrolidin-1-ium-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-[2-(2,5-difluorophenyl)-1-methylpyrrolidin-1-ium-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide is Cc1nc(S(=O)(=O)NC(=O)c2cnn3ccc([N+]4(C)CCCC4c4cc(F)ccc4F)cc23)cn1C.

What is the InChIKey of 5-[2-(2,5-difluorophenyl)-1-methylpyrrolidin-1-ium-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is RXYBXFQJUMPXJO-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24F2N6O3S/c1-15-28-23(14-30(15)2)36(34,35)29-24(33)19-13-27-31-9-8-17(12-21(19)31)32(3)10-4-5-22(32)18-11-16(25)6-7-20(18)26/h6-9,11-14,22H,4-5,10H2,1-3H3/p+1.

What are the key properties of 5-[2-(2,5-difluorophenyl)-1-methylpyrrolidin-1-ium-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?

5-[2-(2,5-difluorophenyl)-1-methylpyrrolidin-1-ium-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 515.57 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2,5-difluorophenyl)-1-methylpyrrolidin-1-ium-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 123564864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).