1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid

C11H12N4O2 — CID 103385086

IUPAC1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid
SMILESCn1cnc2c(N3CC(C(=O)O)C3)nccc21
InChIInChI=1S/C11H12N4O2/c1-14-6-13-9-8(14)2-3-12-10(9)15-4-7(5-15)11(16)17/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChIKeyOXHNJLOMABWPTL-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.49
Rot. Bonds2

About 1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid

1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid (PubChem CID 103385086) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid
PubChem CID103385086
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid
SMILESCn1cnc2c(N3CC(C(=O)O)C3)nccc21
InChIInChI=1S/C11H12N4O2/c1-14-6-13-9-8(14)2-3-12-10(9)15-4-7(5-15)11(16)17/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChIKeyOXHNJLOMABWPTL-UHFFFAOYSA-N
XLogP0.49
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid (CID 103385086) is 1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid is Cn1cnc2c(N3CC(C(=O)O)C3)nccc21.
What is the InChIKey of 1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid?
The InChIKey is OXHNJLOMABWPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-14-6-13-9-8(14)2-3-12-10(9)15-4-7(5-15)11(16)17/h2-3,6-7H,4-5H2,1H3,(H,16,17).
What are the key properties of 1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid?
1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid is sourced from PubChem (CID 103385086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).