2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid

C13H17N3O3 — CID 79248840

IUPAC2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)C(CO)Nc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C13H17N3O3/c1-8(2)9(7-17)14-12-11(13(18)19)16-6-4-3-5-10(16)15-12/h3-6,8-9,14,17H,7H2,1-2H3,(H,18,19)
InChIKeyQFDAACPWZPZOBY-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.46
Rot. Bonds5

About 2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid

2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 79248840) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID79248840
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)C(CO)Nc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C13H17N3O3/c1-8(2)9(7-17)14-12-11(13(18)19)16-6-4-3-5-10(16)15-12/h3-6,8-9,14,17H,7H2,1-2H3,(H,18,19)
InChIKeyQFDAACPWZPZOBY-UHFFFAOYSA-N
XLogP1.46
TPSA86.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61359128
2-(1-pyrrolidin-1-ylpropan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61477551
2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61478101
2-(pent-1-yn-3-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 114161382
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-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 107645118
2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358540
2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357572
2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 113480060
2-(cyclopropylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358153
1-[(1-hydroxy-3-methylbutan-2-yl)amino]isoquinoline-3-carboxylic acid
CID 79250084

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 79248840) is 2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid is CC(C)C(CO)Nc1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is QFDAACPWZPZOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8(2)9(7-17)14-12-11(13(18)19)16-6-4-3-5-10(16)15-12/h3-6,8-9,14,17H,7H2,1-2H3,(H,18,19).
What are the key properties of 2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 79248840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).