2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid

C11H9N3O2 — CID 61357371

IUPAC2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESC#CCNc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C11H9N3O2/c1-2-6-12-10-9(11(15)16)14-7-4-3-5-8(14)13-10/h1,3-5,7,12H,6H2,(H,15,16)
InChIKeyQJMXYBRZWRHTEV-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.08
Rot. Bonds3

About 2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid

2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 61357371) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID61357371
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESC#CCNc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C11H9N3O2/c1-2-6-12-10-9(11(15)16)14-7-4-3-5-8(14)13-10/h1,3-5,7,12H,6H2,(H,15,16)
InChIKeyQJMXYBRZWRHTEV-UHFFFAOYSA-N
XLogP1.08
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357955
2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 114116516
2-(pent-1-yn-3-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 114161382
2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358540
2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 113480060
2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61404427
2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 79559479
2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61359128
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 106373032
2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 79248840
2-(1-pyrrolidin-1-ylpropan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61477551
2-(cyclopropylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358153

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 61357371) is 2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid is C#CCNc1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is QJMXYBRZWRHTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-2-6-12-10-9(11(15)16)14-7-4-3-5-8(14)13-10/h1,3-5,7,12H,6H2,(H,15,16).
What are the key properties of 2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 61357371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).