2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

C11H9N5O2 — CID 103511256

IUPAC2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCn1cncc1-c1nc2nccc(C(=O)O)c2[nH]1
InChIInChI=1S/C11H9N5O2/c1-16-5-12-4-7(16)9-14-8-6(11(17)18)2-3-13-10(8)15-9/h2-5H,1H3,(H,17,18)(H,13,14,15)
InChIKeyCWBINJFHNKPPOX-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.06
Rot. Bonds2

About 2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 103511256) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID103511256
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCn1cncc1-c1nc2nccc(C(=O)O)c2[nH]1
InChIInChI=1S/C11H9N5O2/c1-16-5-12-4-7(16)9-14-8-6(11(17)18)2-3-13-10(8)15-9/h2-5H,1H3,(H,17,18)(H,13,14,15)
InChIKeyCWBINJFHNKPPOX-UHFFFAOYSA-N
XLogP1.06
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582695
2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582745
2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 136923432
2-(6-methyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582603
4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid
CID 116640834
2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582623
2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 136966691
2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 68935802
2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938354
2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 103936814
2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 140538831
2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 167937720

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 103511256) is 2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is Cn1cncc1-c1nc2nccc(C(=O)O)c2[nH]1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is CWBINJFHNKPPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-16-5-12-4-7(16)9-14-8-6(11(17)18)2-3-13-10(8)15-9/h2-5H,1H3,(H,17,18)(H,13,14,15).
What are the key properties of 2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 243.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 103511256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).