N-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide

C45H49ClF2N6O5SSi2 — CID 164594213

About N-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide

N-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide (PubChem CID 164594213) has the molecular formula C45H49ClF2N6O5SSi2 and a molecular weight of 915.61 g/mol. Its IUPAC name is N-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
• PubChem CID: 164594213
• Molecular Formula: C45H49ClF2N6O5SSi2
• Molecular Weight: 915.61 g/mol
• Exact Mass: 914.27
• IUPAC Name: N-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
• SMILES: COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc(CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)n4COCC[Si](C)(C)C)ncn3c2)c1F
• InChI: InChI=1S/C45H49ClF2N6O5SSi2/c1-45(2,3)62(34-14-10-8-11-15-34,35-16-12-9-13-17-35)59-28-33-26-49-43(54(33)30-58-22-23-61(5,6)7)42-38-21-18-31(27-53(38)29-51-42)40-36(47)19-20-37(41(40)48)52-60(55,56)39-24-32(46)25-50-44(39)57-4/h8-21,24-27,29,52H,22-23,28,30H2,1-7H3
• InChIKey: ZRMCDIIYKKGIAM-UHFFFAOYSA-N
• XLogP: 9.39
• TPSA: 121.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.61
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?

The IUPAC name of N-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide (CID 164594213) is N-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide.

What is the SMILES notation for N-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?

The canonical SMILES for N-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc(CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)n4COCC[Si](C)(C)C)ncn3c2)c1F.

What is the InChIKey of N-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?

The InChIKey is ZRMCDIIYKKGIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H49ClF2N6O5SSi2/c1-45(2,3)62(34-14-10-8-11-15-34,35-16-12-9-13-17-35)59-28-33-26-49-43(54(33)30-58-22-23-61(5,6)7)42-38-21-18-31(27-53(38)29-51-42)40-36(47)19-20-37(41(40)48)52-60(55,56)39-24-32(46)25-50-44(39)57-4/h8-21,24-27,29,52H,22-23,28,30H2,1-7H3.

What are the key properties of N-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?

N-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide has a molecular weight of 915.61 g/mol, XLogP of 9.39, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 164594213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).