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Ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid

C18H20FN3O3 — CID 144953601

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC.Cc1cc(OCc2ncccc2F)c2nc(C)c(C(=O)O)n2c1
InChIInChI=1S/C16H14FN3O3.C2H6/c1-9-6-13(23-8-12-11(17)4-3-5-18-12)15-19-10(2)14(16(21)22)20(15)7-9;1-2/h3-7H,8H2,1-2H3,(H,21,22);1-2H3
InChIKeyNPLIQZIMFCBKBA-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.79
Rot. Bonds4

About Ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid

Ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 144953601) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound NameEthane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID144953601
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Nameethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC.Cc1cc(OCc2ncccc2F)c2nc(C)c(C(=O)O)n2c1
InChIInChI=1S/C16H14FN3O3.C2H6/c1-9-6-13(23-8-12-11(17)4-3-5-18-12)15-19-10(2)14(16(21)22)20(15)7-9;1-2/h3-7H,8H2,1-2H3,(H,21,22);1-2H3
InChIKeyNPLIQZIMFCBKBA-UHFFFAOYSA-N
XLogP3.79
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of Ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 144953601) is ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for Ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for Ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid is CC.Cc1cc(OCc2ncccc2F)c2nc(C)c(C(=O)O)n2c1.
What is the InChIKey of Ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is NPLIQZIMFCBKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3.C2H6/c1-9-6-13(23-8-12-11(17)4-3-5-18-12)15-19-10(2)14(16(21)22)20(15)7-9;1-2/h3-7H,8H2,1-2H3,(H,21,22);1-2H3.
What are the key properties of Ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid?
Ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 345.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 144953601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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