6-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H30FN7O5S2 — CID 118590391

About 6-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide

6-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118590391) has the molecular formula C27H30FN7O5S2 and a molecular weight of 615.71 g/mol. Its IUPAC name is 6-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 118590391
• Molecular Formula: C27H30FN7O5S2
• Molecular Weight: 615.71 g/mol
• Exact Mass: 615.17
• IUPAC Name: 6-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1nnc(N(C)S(=O)(=O)NC(=O)c2cnc3ccc(N4CCC[C@@H]4c4cc(F)ccc4OC4CCOCC4)cn23)s1
• InChI: InChI=1S/C27H30FN7O5S2/c1-17-30-31-27(41-17)33(2)42(37,38)32-26(36)23-15-29-25-8-6-19(16-35(23)25)34-11-3-4-22(34)21-14-18(28)5-7-24(21)40-20-9-12-39-13-10-20/h5-8,14-16,20,22H,3-4,9-13H2,1-2H3,(H,32,36)/t22-/m1/s1
• InChIKey: AEPWJMUDOMHRDQ-JOCHJYFZSA-N
• XLogP: 3.64
• TPSA: 131.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.71
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 118590391) is 6-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nnc(N(C)S(=O)(=O)NC(=O)c2cnc3ccc(N4CCC[C@@H]4c4cc(F)ccc4OC4CCOCC4)cn23)s1.

What is the InChIKey of 6-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is AEPWJMUDOMHRDQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H30FN7O5S2/c1-17-30-31-27(41-17)33(2)42(37,38)32-26(36)23-15-29-25-8-6-19(16-35(23)25)34-11-3-4-22(34)21-14-18(28)5-7-24(21)40-20-9-12-39-13-10-20/h5-8,14-16,20,22H,3-4,9-13H2,1-2H3,(H,32,36)/t22-/m1/s1.

What are the key properties of 6-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide?

6-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 615.71 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]-N-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118590391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).