6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide

C26H26F2N6O5S2 — CID 118590511

About 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide

6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118590511) has the molecular formula C26H26F2N6O5S2 and a molecular weight of 604.66 g/mol. Its IUPAC name is 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 118590511
• Molecular Formula: C26H26F2N6O5S2
• Molecular Weight: 604.66 g/mol
• Exact Mass: 604.14
• IUPAC Name: 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CN(c1nccs1)S(=O)(=O)NC(=O)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3O[C@@H]3CCOC3)cn12
• InChI: InChI=1S/C26H26F2N6O5S2/c1-32(26-29-7-9-40-26)41(36,37)31-25(35)22-12-30-24-5-3-18(14-34(22)24)33-13-17(28)11-21(33)20-10-16(27)2-4-23(20)39-19-6-8-38-15-19/h2-5,7,9-10,12,14,17,19,21H,6,8,11,13,15H2,1H3,(H,31,35)/t17-,19+,21+/m0/s1
• InChIKey: GOCYANIYVRFQSV-FBBABVLZSA-N
• XLogP: 3.50
• TPSA: 118.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.66
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 118590511) is 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide is CN(c1nccs1)S(=O)(=O)NC(=O)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3O[C@@H]3CCOC3)cn12.

What is the InChIKey of 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is GOCYANIYVRFQSV-FBBABVLZSA-N. The full InChI is InChI=1S/C26H26F2N6O5S2/c1-32(26-29-7-9-40-26)41(36,37)31-25(35)22-12-30-24-5-3-18(14-34(22)24)33-13-17(28)11-21(33)20-10-16(27)2-4-23(20)39-19-6-8-38-15-19/h2-5,7,9-10,12,14,17,19,21H,6,8,11,13,15H2,1H3,(H,31,35)/t17-,19+,21+/m0/s1.

What are the key properties of 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide?

6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 604.66 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-[methyl(1,3-thiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118590511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).