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

C17H13ClN6O3 — CID 68901919

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccc3Cl)ncc(C(=O)O)c21
InChIInChI=1S/C17H13ClN6O3/c1-2-24-14-9(17(25)26)7-20-11(8-5-3-4-6-10(8)18)12(14)21-16(24)13-15(19)23-27-22-13/h3-7H,2H2,1H3,(H2,19,23)(H,25,26)
InChIKeyOJLOEFGVDNBJHR-UHFFFAOYSA-N
MW384.78 g/mol
LogP3.10
Rot. Bonds4

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

2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 68901919) has the molecular formula C17H13ClN6O3 and a molecular weight of 384.78 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid
PubChem CID68901919
Molecular FormulaC17H13ClN6O3
Molecular Weight384.78 g/mol
Exact Mass384.07
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccc3Cl)ncc(C(=O)O)c21
InChIInChI=1S/C17H13ClN6O3/c1-2-24-14-9(17(25)26)7-20-11(8-5-3-4-6-10(8)18)12(14)21-16(24)13-15(19)23-27-22-13/h3-7H,2H2,1H3,(H2,19,23)(H,25,26)
InChIKeyOJLOEFGVDNBJHR-UHFFFAOYSA-N
XLogP3.10
TPSA132.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.78
LogP ≤ 53.10
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)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid (CID 68901919) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid is CCn1c(-c2nonc2N)nc2c(-c3ccccc3Cl)ncc(C(=O)O)c21.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is OJLOEFGVDNBJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O3/c1-2-24-14-9(17(25)26)7-20-11(8-5-3-4-6-10(8)18)12(14)21-16(24)13-15(19)23-27-22-13/h3-7H,2H2,1H3,(H2,19,23)(H,25,26).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid?
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 384.78 g/mol, XLogP of 3.10, 4 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)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 68901919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).