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

C18H20FN3O3 — CID 144953601

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 Name: ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
• PubChem CID: 144953601
• Molecular Formula: C18H20FN3O3
• Molecular Weight: 345.37 g/mol
• Exact Mass: 345.15
• IUPAC Name: ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
• SMILES: CC.Cc1cc(OCc2ncccc2F)c2nc(C)c(C(=O)O)n2c1
• InChI: 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
• InChIKey: NPLIQZIMFCBKBA-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 76.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.37
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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).