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

C16H19N3O4 — CID 155437419

IUPAC8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid
SMILESCCOc1nc(C(=O)O)cn2cc(C34CCC(C)(C3)OC4)nc12
InChIInChI=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)
InChIKeyIVMPRKAAVYTGKP-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.04
Rot. Bonds4

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 Name8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid
PubChem CID155437419
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid
SMILESCCOc1nc(C(=O)O)cn2cc(C34CCC(C)(C3)OC4)nc12
InChIInChI=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)
InChIKeyIVMPRKAAVYTGKP-UHFFFAOYSA-N
XLogP2.04
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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).