6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid

C32H34ClF3N4O7 — CID 126651318

About 6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid

6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 126651318) has the molecular formula C32H34ClF3N4O7 and a molecular weight of 679.09 g/mol. Its IUPAC name is 6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid
• PubChem CID: 126651318
• Molecular Formula: C32H34ClF3N4O7
• Molecular Weight: 679.09 g/mol
• Exact Mass: 678.21
• IUPAC Name: 6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid
• SMILES: CCc1c(C(=O)O)nc2ccc(NC(=O)C(CCOC(C)(C)C)n3cc(OC)c(-c4cc(Cl)ccc4OCC(F)(F)F)cc3=O)cn12
• InChI: InChI=1S/C32H34ClF3N4O7/c1-6-22-28(30(43)44)38-26-10-8-19(15-39(22)26)37-29(42)23(11-12-47-31(2,3)4)40-16-25(45-5)21(14-27(40)41)20-13-18(33)7-9-24(20)46-17-32(34,35)36/h7-10,13-16,23H,6,11-12,17H2,1-5H3,(H,37,42)(H,43,44)
• InChIKey: VENFFBSVEQHXLN-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 133.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.09
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid?

The IUPAC name of 6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid (CID 126651318) is 6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid.

What is the SMILES notation for 6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid?

The canonical SMILES for 6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid is CCc1c(C(=O)O)nc2ccc(NC(=O)C(CCOC(C)(C)C)n3cc(OC)c(-c4cc(Cl)ccc4OCC(F)(F)F)cc3=O)cn12.

What is the InChIKey of 6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid?

The InChIKey is VENFFBSVEQHXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClF3N4O7/c1-6-22-28(30(43)44)38-26-10-8-19(15-39(22)26)37-29(42)23(11-12-47-31(2,3)4)40-16-25(45-5)21(14-27(40)41)20-13-18(33)7-9-24(20)46-17-32(34,35)36/h7-10,13-16,23H,6,11-12,17H2,1-5H3,(H,37,42)(H,43,44).

What are the key properties of 6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid?

6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 679.09 g/mol, XLogP of 6.41, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 126651318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).