2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid

C13H17N3O4S — CID 79559479

IUPAC2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)(CNc1nc2ccccn2c1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C13H17N3O4S/c1-13(2,21(3,19)20)8-14-11-10(12(17)18)16-7-5-4-6-9(16)15-11/h4-7,14H,8H2,1-3H3,(H,17,18)
InChIKeyFKQBCGMHQOPZEZ-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.27
Rot. Bonds5

About 2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid

2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 79559479) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID79559479
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)(CNc1nc2ccccn2c1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C13H17N3O4S/c1-13(2,21(3,19)20)8-14-11-10(12(17)18)16-7-5-4-6-9(16)15-11/h4-7,14H,8H2,1-3H3,(H,17,18)
InChIKeyFKQBCGMHQOPZEZ-UHFFFAOYSA-N
XLogP1.27
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358540
2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357371
2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357955
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-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 114116516
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 106373032
2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61359128
2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 79248840
2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfonylpropan-1-amine
CID 79552337
2-(cyclopropylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358153
2-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 107645118

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 79559479) is 2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid is CC(C)(CNc1nc2ccccn2c1C(=O)O)S(C)(=O)=O.
What is the InChIKey of 2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is FKQBCGMHQOPZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-13(2,21(3,19)20)8-14-11-10(12(17)18)16-7-5-4-6-9(16)15-11/h4-7,14H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 79559479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).