6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid

C₂₂H₂₂F₄N₄O₄ — CID 90115932

About 6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid

6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid (PubChem CID 90115932) has the molecular formula C₂₂H₂₂F₄N₄O₄ and a molecular weight of 482.43 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: 6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid
• PubChem CID: 90115932
• Molecular Formula: C₂₂H₂₂F₄N₄O₄
• Molecular Weight: 482.43 g/mol
• Exact Mass: 482.16
• IUPAC Name: 6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid
• SMILES: Cc1cc(OCc2ncccc2F)c2nc(C)c(C(=O)NC(CCCC(F)(F)F)C(=O)O)n2c1
• InChI: InChI=1S/C22H22F4N4O4/c1-12-9-17(34-11-16-14(23)5-4-8-27-16)19-28-13(2)18(30(19)10-12)20(31)29-15(21(32)33)6-3-7-22(24,25)26/h4-5,8-10,15H,3,6-7,11H2,1-2H3,(H,29,31)(H,32,33)
• InChIKey: WSXCYGXYTIKVIV-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 105.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.43
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid?

The IUPAC name of 6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid (CID 90115932) is 6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid.

What is the SMILES notation for 6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid?

The canonical SMILES for 6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid is Cc1cc(OCc2ncccc2F)c2nc(C)c(C(=O)NC(CCCC(F)(F)F)C(=O)O)n2c1.

What is the InChIKey of 6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid?

The InChIKey is WSXCYGXYTIKVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N4O4/c1-12-9-17(34-11-16-14(23)5-4-8-27-16)19-28-13(2)18(30(19)10-12)20(31)29-15(21(32)33)6-3-7-22(24,25)26/h4-5,8-10,15H,3,6-7,11H2,1-2H3,(H,29,31)(H,32,33).

What are the key properties of 6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid?

6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid has a molecular weight of 482.43 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 90115932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 90115932 — identifiers, structure, computed properties (public domain)

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