5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid

C22H17F2N3O3 — CID 121301924

About 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid

5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid (PubChem CID 121301924) has the molecular formula C22H17F2N3O3 and a molecular weight of 409.39 g/mol. Its IUPAC name is 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid
• PubChem CID: 121301924
• Molecular Formula: C22H17F2N3O3
• Molecular Weight: 409.39 g/mol
• Exact Mass: 409.12
• IUPAC Name: 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid
• SMILES: Cc1ccc2nc(C)c(-c3cncc(C(=O)O)c3)n2c1OCc1c(F)cccc1F
• InChI: InChI=1S/C22H17F2N3O3/c1-12-6-7-19-26-13(2)20(14-8-15(22(28)29)10-25-9-14)27(19)21(12)30-11-16-17(23)4-3-5-18(16)24/h3-10H,11H2,1-2H3,(H,28,29)
• InChIKey: VDIGEJGRRJFWQB-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 76.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.39
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid?

The IUPAC name of 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid (CID 121301924) is 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid is Cc1ccc2nc(C)c(-c3cncc(C(=O)O)c3)n2c1OCc1c(F)cccc1F.

What is the InChIKey of 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid?

The InChIKey is VDIGEJGRRJFWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O3/c1-12-6-7-19-26-13(2)20(14-8-15(22(28)29)10-25-9-14)27(19)21(12)30-11-16-17(23)4-3-5-18(16)24/h3-10H,11H2,1-2H3,(H,28,29).

What are the key properties of 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid?

5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid has a molecular weight of 409.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 121301924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).