2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid

C16H21N3O2 — CID 117129022

IUPAC2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCC(C)N1CCC(c2cn3cc(C(=O)O)ccc3n2)CC1
InChIInChI=1S/C16H21N3O2/c1-11(2)18-7-5-12(6-8-18)14-10-19-9-13(16(20)21)3-4-15(19)17-14/h3-4,9-12H,5-8H2,1-2H3,(H,20,21)
InChIKeyBVPDEYAQOJELQO-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.62
Rot. Bonds3

About 2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid

2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 117129022) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID117129022
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCC(C)N1CCC(c2cn3cc(C(=O)O)ccc3n2)CC1
InChIInChI=1S/C16H21N3O2/c1-11(2)18-7-5-12(6-8-18)14-10-19-9-13(16(20)21)3-4-15(19)17-14/h3-4,9-12H,5-8H2,1-2H3,(H,20,21)
InChIKeyBVPDEYAQOJELQO-UHFFFAOYSA-N
XLogP2.62
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 63906537
2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117129579
6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155853436
6-methyl-2-(1-propan-2-ylpiperidin-3-yl)imidazo[1,2-a]pyridine
CID 117129402
2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170
2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridin-8-amine
CID 117135973
2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid
CID 19701527
2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine
CID 117131294
2-(1-ethylpiperidin-4-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117133711
2-(4-butan-2-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82356930
2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117128929
2-thiophen-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 54973406

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 117129022) is 2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is CC(C)N1CCC(c2cn3cc(C(=O)O)ccc3n2)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is BVPDEYAQOJELQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)18-7-5-12(6-8-18)14-10-19-9-13(16(20)21)3-4-15(19)17-14/h3-4,9-12H,5-8H2,1-2H3,(H,20,21).
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117129022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).