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

C11H9N5O2 — CID 103386236

IUPAC1-(1-methylimidazo[4,5-c]pyridin-4-yl)imidazole-4-carboxylic acid
SMILESCn1cnc2c(-n3cnc(C(=O)O)c3)nccc21
InChIInChI=1S/C11H9N5O2/c1-15-5-14-9-8(15)2-3-12-10(9)16-4-7(11(17)18)13-6-16/h2-6H,1H3,(H,17,18)
InChIKeyAHVWZVMXTKWDJX-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.85
Rot. Bonds2

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

1-(1-methylimidazo[4,5-c]pyridin-4-yl)imidazole-4-carboxylic acid (PubChem CID 103386236) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-(1-methylimidazo[4,5-c]pyridin-4-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylimidazo[4,5-c]pyridin-4-yl)imidazole-4-carboxylic acid
PubChem CID103386236
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name1-(1-methylimidazo[4,5-c]pyridin-4-yl)imidazole-4-carboxylic acid
SMILESCn1cnc2c(-n3cnc(C(=O)O)c3)nccc21
InChIInChI=1S/C11H9N5O2/c1-15-5-14-9-8(15)2-3-12-10(9)16-4-7(11(17)18)13-6-16/h2-6H,1H3,(H,17,18)
InChIKeyAHVWZVMXTKWDJX-UHFFFAOYSA-N
XLogP0.85
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid
CID 63342828
1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid
CID 103385086
1-methyl-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine;hydrochloride
CID 6602907
3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid
CID 103385024
2-[1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidin-4-yl]acetic acid
CID 103385128
1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid
CID 63343046
2-methyl-1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-2-carboxylic acid
CID 103385168
1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde
CID 103386359
1-(1-methylimidazo[4,5-c]pyridin-4-yl)-1,2,4-triazol-3-amine
CID 103386199
1-(4-methylpyrimidin-2-yl)imidazole-4-carboxylic acid
CID 63343224
1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid
CID 63343432
2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid
CID 103385120

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazo[4,5-c]pyridin-4-yl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(1-methylimidazo[4,5-c]pyridin-4-yl)imidazole-4-carboxylic acid (CID 103386236) is 1-(1-methylimidazo[4,5-c]pyridin-4-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-methylimidazo[4,5-c]pyridin-4-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(1-methylimidazo[4,5-c]pyridin-4-yl)imidazole-4-carboxylic acid is Cn1cnc2c(-n3cnc(C(=O)O)c3)nccc21.
What is the InChIKey of 1-(1-methylimidazo[4,5-c]pyridin-4-yl)imidazole-4-carboxylic acid?
The InChIKey is AHVWZVMXTKWDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-15-5-14-9-8(15)2-3-12-10(9)16-4-7(11(17)18)13-6-16/h2-6H,1H3,(H,17,18).
What are the key properties of 1-(1-methylimidazo[4,5-c]pyridin-4-yl)imidazole-4-carboxylic acid?
1-(1-methylimidazo[4,5-c]pyridin-4-yl)imidazole-4-carboxylic acid has a molecular weight of 243.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazo[4,5-c]pyridin-4-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 103386236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).