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

C27H32F3N5O5S — CID 118590576

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

N-[ethyl(2-fluoroethyl)sulfamoyl]-6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118590576) has the molecular formula C27H32F3N5O5S and a molecular weight of 595.64 g/mol. Its IUPAC name is N-[ethyl(2-fluoroethyl)sulfamoyl]-6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[ethyl(2-fluoroethyl)sulfamoyl]-6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 118590576
• Molecular Formula: C27H32F3N5O5S
• Molecular Weight: 595.64 g/mol
• Exact Mass: 595.21
• IUPAC Name: N-[ethyl(2-fluoroethyl)sulfamoyl]-6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCN(CCF)S(=O)(=O)NC(=O)c1cnc2ccc(N3CC(F)CC3c3cc(F)ccc3OC3CCOCC3)cn12
• InChI: InChI=1S/C27H32F3N5O5S/c1-2-33(10-9-28)41(37,38)32-27(36)24-15-31-26-6-4-20(17-35(24)26)34-16-19(30)14-23(34)22-13-18(29)3-5-25(22)40-21-7-11-39-12-8-21/h3-6,13,15,17,19,21,23H,2,7-12,14,16H2,1H3,(H,32,36)
• InChIKey: FJDSCFBIFAFXRW-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 105.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.64
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[ethyl(2-fluoroethyl)sulfamoyl]-6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 118590576) is N-[ethyl(2-fluoroethyl)sulfamoyl]-6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for N-[ethyl(2-fluoroethyl)sulfamoyl]-6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCN(CCF)S(=O)(=O)NC(=O)c1cnc2ccc(N3CC(F)CC3c3cc(F)ccc3OC3CCOCC3)cn12.

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

The InChIKey is FJDSCFBIFAFXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O5S/c1-2-33(10-9-28)41(37,38)32-27(36)24-15-31-26-6-4-20(17-35(24)26)34-16-19(30)14-23(34)22-13-18(29)3-5-25(22)40-21-7-11-39-12-8-21/h3-6,13,15,17,19,21,23H,2,7-12,14,16H2,1H3,(H,32,36).

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

N-[ethyl(2-fluoroethyl)sulfamoyl]-6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 595.64 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[ethyl(2-fluoroethyl)sulfamoyl]-6-[4-fluoro-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118590576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).