4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid

C15H13N3O2 — CID 141417395

IUPAC4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid
SMILESCNc1ccn2cc(-c3ccc(C(=O)O)cc3)nc2c1
InChIInChI=1S/C15H13N3O2/c1-16-12-6-7-18-9-13(17-14(18)8-12)10-2-4-11(5-3-10)15(19)20/h2-9,16H,1H3,(H,19,20)
InChIKeyJBVWUXZBSMOUEM-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.74
Rot. Bonds3

About 4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid

4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid (PubChem CID 141417395) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid
PubChem CID141417395
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid
SMILESCNc1ccn2cc(-c3ccc(C(=O)O)cc3)nc2c1
InChIInChI=1S/C15H13N3O2/c1-16-12-6-7-18-9-13(17-14(18)8-12)10-2-4-11(5-3-10)15(19)20/h2-9,16H,1H3,(H,19,20)
InChIKeyJBVWUXZBSMOUEM-UHFFFAOYSA-N
XLogP2.74
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
CID 86282561
N-methyl-2-(4-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-7-amine
CID 86280801
2-[4-(2-fluoroethoxy)phenyl]-N-methylimidazo[1,2-a]pyridin-7-amine
CID 86282705
2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117135507
2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 9146654
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbenzamide
CID 121089744
2-(4-butan-2-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 82357029
methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate
CID 45158622
methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
CID 108801388
N-(3-acetamidophenyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801394
4-methyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121028698

Frequently Asked Questions

What is the IUPAC name of 4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid?
The IUPAC name of 4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid (CID 141417395) is 4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid.
What is the SMILES notation for 4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid?
The canonical SMILES for 4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid is CNc1ccn2cc(-c3ccc(C(=O)O)cc3)nc2c1.
What is the InChIKey of 4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid?
The InChIKey is JBVWUXZBSMOUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-16-12-6-7-18-9-13(17-14(18)8-12)10-2-4-11(5-3-10)15(19)20/h2-9,16H,1H3,(H,19,20).
What are the key properties of 4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid?
4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid has a molecular weight of 267.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(methylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid is sourced from PubChem (CID 141417395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).