5-chloro-N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide

C22H14ClF3N6O2S — CID 164593728

About 5-chloro-N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide

5-chloro-N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide (PubChem CID 164593728) has the molecular formula C22H14ClF3N6O2S and a molecular weight of 518.91 g/mol. Its IUPAC name is 5-chloro-N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide
• PubChem CID: 164593728
• Molecular Formula: C22H14ClF3N6O2S
• Molecular Weight: 518.91 g/mol
• Exact Mass: 518.05
• IUPAC Name: 5-chloro-N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide
• SMILES: Cc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)ncn3c2F)c1F
• InChI: InChI=1S/C22H14ClF3N6O2S/c1-11-17(8-12(23)9-29-11)35(33,34)31-15-4-3-14(24)18(19(15)25)13-2-5-16-20(22-27-6-7-28-22)30-10-32(16)21(13)26/h2-10,31H,1H3,(H,27,28)
• InChIKey: URNOKJHWYHZCEF-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 105.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.91
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide?

The IUPAC name of 5-chloro-N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide (CID 164593728) is 5-chloro-N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide.

What is the SMILES notation for 5-chloro-N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide?

The canonical SMILES for 5-chloro-N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide is Cc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)ncn3c2F)c1F.

What is the InChIKey of 5-chloro-N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide?

The InChIKey is URNOKJHWYHZCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N6O2S/c1-11-17(8-12(23)9-29-11)35(33,34)31-15-4-3-14(24)18(19(15)25)13-2-5-16-20(22-27-6-7-28-22)30-10-32(16)21(13)26/h2-10,31H,1H3,(H,27,28).

What are the key properties of 5-chloro-N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide?

5-chloro-N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide has a molecular weight of 518.91 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 164593728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).