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

C13H17N3O3 — CID 54994779

IUPAC2-[2-hydroxyethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)N(CCO)c1nc2ccccn2c1C(=O)O
InChIInChI=1S/C13H17N3O3/c1-9(2)15(7-8-17)12-11(13(18)19)16-6-4-3-5-10(16)14-12/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyZQRBJLZRJZGYLH-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.24
Rot. Bonds5

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

2-[2-hydroxyethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 54994779) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID54994779
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[2-hydroxyethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)N(CCO)c1nc2ccccn2c1C(=O)O
InChIInChI=1S/C13H17N3O3/c1-9(2)15(7-8-17)12-11(13(18)19)16-6-4-3-5-10(16)14-12/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyZQRBJLZRJZGYLH-UHFFFAOYSA-N
XLogP1.24
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477884
2-(N-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477811
2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61451416
2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 54991956
2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102993970
2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358940
[2-[methyl(propan-2-yl)amino]imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478078
2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357572
2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 79248840
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61442386
2-[[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-methylamino]ethanol
CID 60961309
2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61359128

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-hydroxyethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 54994779) is 2-[2-hydroxyethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-hydroxyethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid is CC(C)N(CCO)c1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-[2-hydroxyethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is ZQRBJLZRJZGYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9(2)15(7-8-17)12-11(13(18)19)16-6-4-3-5-10(16)14-12/h3-6,9,17H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-hydroxyethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[2-hydroxyethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 54994779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).