8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid

C16H19N3O4 — CID 155437419

About 8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid

8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid (PubChem CID 155437419) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid.

Molecular Properties

• Compound Name: 8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid
• PubChem CID: 155437419
• Molecular Formula: C16H19N3O4
• Molecular Weight: 317.35 g/mol
• Exact Mass: 317.14
• IUPAC Name: 8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid
• SMILES: CCOc1nc(C(=O)O)cn2cc(C34CCC(C)(C3)OC4)nc12
• InChI: InChI=1S/C16H19N3O4/c1-3-22-13-12-18-11(7-19(12)6-10(17-13)14(20)21)16-5-4-15(2,8-16)23-9-16/h6-7H,3-5,8-9H2,1-2H3,(H,20,21)
• InChIKey: IVMPRKAAVYTGKP-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 85.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.35
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid?

The IUPAC name of 8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid (CID 155437419) is 8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid.

What is the SMILES notation for 8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid?

The canonical SMILES for 8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid is CCOc1nc(C(=O)O)cn2cc(C34CCC(C)(C3)OC4)nc12.

What is the InChIKey of 8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid?

The InChIKey is IVMPRKAAVYTGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-3-22-13-12-18-11(7-19(12)6-10(17-13)14(20)21)16-5-4-15(2,8-16)23-9-16/h6-7H,3-5,8-9H2,1-2H3,(H,20,21).

What are the key properties of 8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid?

8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid is sourced from PubChem (CID 155437419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).