2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid

C11H10N6O3 — CID 69157882

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCCn1c(-c2nonc2N)nc2cncc(C(=O)O)c21
InChIInChI=1S/C11H10N6O3/c1-2-17-8-5(11(18)19)3-13-4-6(8)14-10(17)7-9(12)16-20-15-7/h3-4H,2H2,1H3,(H2,12,16)(H,18,19)
InChIKeyCEXUOBKROCCBQY-UHFFFAOYSA-N
MW274.24 g/mol
LogP0.78
Rot. Bonds3

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid

2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 69157882) has the molecular formula C11H10N6O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid
PubChem CID69157882
Molecular FormulaC11H10N6O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCCn1c(-c2nonc2N)nc2cncc(C(=O)O)c21
InChIInChI=1S/C11H10N6O3/c1-2-17-8-5(11(18)19)3-13-4-6(8)14-10(17)7-9(12)16-20-15-7/h3-4H,2H2,1H3,(H2,12,16)(H,18,19)
InChIKeyCEXUOBKROCCBQY-UHFFFAOYSA-N
XLogP0.78
TPSA132.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid (CID 69157882) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid is CCn1c(-c2nonc2N)nc2cncc(C(=O)O)c21.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is CEXUOBKROCCBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O3/c1-2-17-8-5(11(18)19)3-13-4-6(8)14-10(17)7-9(12)16-20-15-7/h3-4H,2H2,1H3,(H2,12,16)(H,18,19).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid?
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 69157882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).