2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid

C13H17N3O2 — CID 61359128

IUPAC2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)C(C)Nc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C13H17N3O2/c1-8(2)9(3)14-12-11(13(17)18)16-7-5-4-6-10(16)15-12/h4-9,14H,1-3H3,(H,17,18)
InChIKeyKXKAQPFHBGNPRI-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.49
Rot. Bonds4

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

2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 61359128) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID61359128
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)C(C)Nc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C13H17N3O2/c1-8(2)9(3)14-12-11(13(17)18)16-7-5-4-6-10(16)15-12/h4-9,14H,1-3H3,(H,17,18)
InChIKeyKXKAQPFHBGNPRI-UHFFFAOYSA-N
XLogP2.49
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[[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-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 107645118
2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357371
2-(cyclopropylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358153
2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357955
2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358940
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 61359128) is 2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid is CC(C)C(C)Nc1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is KXKAQPFHBGNPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(2)9(3)14-12-11(13(17)18)16-7-5-4-6-10(16)15-12/h4-9,14H,1-3H3,(H,17,18).
What are the key properties of 2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 247.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 61359128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).