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

C13H17N3O3 — CID 61451416

IUPAC2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCOCC(C)N(C)c1nc2ccccn2c1C(=O)O
InChIInChI=1S/C13H17N3O3/c1-9(8-19-3)15(2)12-11(13(17)18)16-7-5-4-6-10(16)14-12/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyAHSLOOGKUGPTTJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.50
Rot. Bonds5

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

2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 61451416) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID61451416
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCOCC(C)N(C)c1nc2ccccn2c1C(=O)O
InChIInChI=1S/C13H17N3O3/c1-9(8-19-3)15(2)12-11(13(17)18)16-7-5-4-6-10(16)14-12/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyAHSLOOGKUGPTTJ-UHFFFAOYSA-N
XLogP1.50
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Imidazo[1,2-a]pyridine-2-carboxylic acid
CID 2062168
2-Chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2360195
Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
Methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 717824
Ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 821015
Ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 860187
Ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate
CID 11736475
Imidazo(1,2-a)pyridine-3-carboxylic acid
CID 73142
2-Methylimidazo(1,2-a)pyridine-3-carboxylic acid
CID 89054
1-{2-Methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one
CID 2735255
Ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 10567382
Dazoquinast
CID 71146

Frequently Asked Questions

What is the IUPAC name of 2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 61451416) is 2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid is COCC(C)N(C)c1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is AHSLOOGKUGPTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9(8-19-3)15(2)12-11(13(17)18)16-7-5-4-6-10(16)14-12/h4-7,9H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 61451416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).