2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid

C14H17N3O3 — CID 102958616

IUPAC2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC1CCN(c2nc3ccccn3c2C(=O)O)CC1O
InChIInChI=1S/C14H17N3O3/c1-9-5-7-16(8-10(9)18)13-12(14(19)20)17-6-3-2-4-11(17)15-13/h2-4,6,9-10,18H,5,7-8H2,1H3,(H,19,20)
InChIKeyYVUBFVTWBZCHEI-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.24
Rot. Bonds2

About 2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid

2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 102958616) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID102958616
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC1CCN(c2nc3ccccn3c2C(=O)O)CC1O
InChIInChI=1S/C14H17N3O3/c1-9-5-7-16(8-10(9)18)13-12(14(19)20)17-6-3-2-4-11(17)15-13/h2-4,6,9-10,18H,5,7-8H2,1H3,(H,19,20)
InChIKeyYVUBFVTWBZCHEI-UHFFFAOYSA-N
XLogP1.24
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61227192
2-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477803
2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63163885
2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 62063458
2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43584666
2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 66083555
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 106314441
2-[(2-methylcyclopentyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63279752
2-(2-carbamoylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477869
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102883872
2-(2-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477885
(E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 43477879

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 102958616) is 2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is CC1CCN(c2nc3ccccn3c2C(=O)O)CC1O.
What is the InChIKey of 2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is YVUBFVTWBZCHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-5-7-16(8-10(9)18)13-12(14(19)20)17-6-3-2-4-11(17)15-13/h2-4,6,9-10,18H,5,7-8H2,1H3,(H,19,20).
What are the key properties of 2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 102958616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).