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

IUPAC6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid
SMILESCc1cc(OCc2ncccc2F)c2nc(C)c(C(=O)NC(CCCC(F)(F)F)C(=O)O)n2c1
InChIInChI=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)
InChIKeyWSXCYGXYTIKVIV-UHFFFAOYSA-N
MW482.43 g/mol
LogP3.98
Rot. Bonds9

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 Name6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid
PubChem CID90115932
Molecular FormulaC22H22F4N4O4
Molecular Weight482.43 g/mol
Exact Mass482.16
IUPAC Name6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid
SMILESCc1cc(OCc2ncccc2F)c2nc(C)c(C(=O)NC(CCCC(F)(F)F)C(=O)O)n2c1
InChIInChI=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)
InChIKeyWSXCYGXYTIKVIV-UHFFFAOYSA-N
XLogP3.98
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).