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

C29H31F3N6O3SSi — CID 164594867

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

N-[2,4-difluoro-3-[1-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide (PubChem CID 164594867) has the molecular formula C29H31F3N6O3SSi and a molecular weight of 628.75 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[1-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[2,4-difluoro-3-[1-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide
• PubChem CID: 164594867
• Molecular Formula: C29H31F3N6O3SSi
• Molecular Weight: 628.75 g/mol
• Exact Mass: 628.19
• IUPAC Name: N-[2,4-difluoro-3-[1-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide
• SMILES: Cc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc(C)n4COCC[Si](C)(C)C)ncn3c2)c1F
• InChI: InChI=1S/C29H31F3N6O3SSi/c1-18-13-34-29(38(18)17-41-10-11-43(3,4)5)28-24-9-6-20(15-37(24)16-35-28)26-22(31)7-8-23(27(26)32)36-42(39,40)25-12-21(30)14-33-19(25)2/h6-9,12-16,36H,10-11,17H2,1-5H3
• InChIKey: GTBMXEDIVOWINW-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 103.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.75
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'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-[1-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide?

The IUPAC name of N-[2,4-difluoro-3-[1-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide (CID 164594867) is N-[2,4-difluoro-3-[1-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide.

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

The canonical SMILES for N-[2,4-difluoro-3-[1-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide is Cc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc(C)n4COCC[Si](C)(C)C)ncn3c2)c1F.

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

The InChIKey is GTBMXEDIVOWINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N6O3SSi/c1-18-13-34-29(38(18)17-41-10-11-43(3,4)5)28-24-9-6-20(15-37(24)16-35-28)26-22(31)7-8-23(27(26)32)36-42(39,40)25-12-21(30)14-33-19(25)2/h6-9,12-16,36H,10-11,17H2,1-5H3.

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

N-[2,4-difluoro-3-[1-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide has a molecular weight of 628.75 g/mol, XLogP of 6.41, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-difluoro-3-[1-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 164594867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).