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

C28H28F4N6O4SSi — CID 164594495

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

N-[2,4-difluoro-3-[5-fluoro-1-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide (PubChem CID 164594495) has the molecular formula C28H28F4N6O4SSi and a molecular weight of 648.72 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[5-fluoro-1-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[2,4-difluoro-3-[5-fluoro-1-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
• PubChem CID: 164594495
• Molecular Formula: C28H28F4N6O4SSi
• Molecular Weight: 648.72 g/mol
• Exact Mass: 648.16
• IUPAC Name: N-[2,4-difluoro-3-[5-fluoro-1-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
• SMILES: COc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4nccn4COCC[Si](C)(C)C)ncn3c2F)c1F
• InChI: InChI=1S/C28H28F4N6O4SSi/c1-41-28-22(13-17(29)14-34-28)43(39,40)36-20-7-6-19(30)23(24(20)31)18-5-8-21-25(35-15-38(21)26(18)32)27-33-9-10-37(27)16-42-11-12-44(2,3)4/h5-10,13-15,36H,11-12,16H2,1-4H3
• InChIKey: HZGRCKGIBXUJKR-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 112.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.72
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2,4-difluoro-3-[5-fluoro-1-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide (CID 164594495) is N-[2,4-difluoro-3-[5-fluoro-1-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide.

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

The canonical SMILES for N-[2,4-difluoro-3-[5-fluoro-1-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide is COc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4nccn4COCC[Si](C)(C)C)ncn3c2F)c1F.

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

The InChIKey is HZGRCKGIBXUJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F4N6O4SSi/c1-41-28-22(13-17(29)14-34-28)43(39,40)36-20-7-6-19(30)23(24(20)31)18-5-8-21-25(35-15-38(21)26(18)32)27-33-9-10-37(27)16-42-11-12-44(2,3)4/h5-10,13-15,36H,11-12,16H2,1-4H3.

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

N-[2,4-difluoro-3-[5-fluoro-1-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide has a molecular weight of 648.72 g/mol, XLogP of 5.94, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-difluoro-3-[5-fluoro-1-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 164594495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).