2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C14H12N4O3 — CID 66587024

IUPAC2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCOc1ccc(Nc2nc3ncc(C(=O)O)cc3[nH]2)cc1
InChIInChI=1S/C14H12N4O3/c1-21-10-4-2-9(3-5-10)16-14-17-11-6-8(13(19)20)7-15-12(11)18-14/h2-7H,1H3,(H,19,20)(H2,15,16,17,18)
InChIKeyQVQZWCDJWZSGAG-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 66587024) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID66587024
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCOc1ccc(Nc2nc3ncc(C(=O)O)cc3[nH]2)cc1
InChIInChI=1S/C14H12N4O3/c1-21-10-4-2-9(3-5-10)16-14-17-11-6-8(13(19)20)7-15-12(11)18-14/h2-7H,1H3,(H,19,20)(H2,15,16,17,18)
InChIKeyQVQZWCDJWZSGAG-UHFFFAOYSA-N
XLogP2.41
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid
CID 22570496
2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821325
5-(4-methoxyanilino)pyridine-3-carboxylic acid
CID 82535078
2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796070
2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 80503771
2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821331
2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82795992
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
2-(4-tert-butylanilino)-3H-benzimidazole-5-carboxylic acid
CID 82563058
2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796325
5-methoxy-N-phenyl-1H-imidazo[4,5-b]pyridin-2-amine
CID 141189251
6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 14666426

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 66587024) is 2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is COc1ccc(Nc2nc3ncc(C(=O)O)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is QVQZWCDJWZSGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-21-10-4-2-9(3-5-10)16-14-17-11-6-8(13(19)20)7-15-12(11)18-14/h2-7H,1H3,(H,19,20)(H2,15,16,17,18).
What are the key properties of 2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 284.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 66587024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).