3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid

C15H13N3O2 — CID 82356036

IUPAC3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(C(=O)O)cn3c2N)cc1
InChIInChI=1S/C15H13N3O2/c1-9-2-4-10(5-3-9)13-14(16)18-8-11(15(19)20)6-7-12(18)17-13/h2-8H,16H2,1H3,(H,19,20)
InChIKeyQKVQFPAVTDYBBG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.59
Rot. Bonds2

About 3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid

3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 82356036) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID82356036
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(C(=O)O)cn3c2N)cc1
InChIInChI=1S/C15H13N3O2/c1-9-2-4-10(5-3-9)13-14(16)18-8-11(15(19)20)6-7-12(18)17-13/h2-8H,16H2,1H3,(H,19,20)
InChIKeyQKVQFPAVTDYBBG-UHFFFAOYSA-N
XLogP2.59
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 82356036) is 3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid is Cc1ccc(-c2nc3ccc(C(=O)O)cn3c2N)cc1.
What is the InChIKey of 3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is QKVQFPAVTDYBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-2-4-10(5-3-9)13-14(16)18-8-11(15(19)20)6-7-12(18)17-13/h2-8H,16H2,1H3,(H,19,20).
What are the key properties of 3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 82356036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).