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

C14H17N3O3 — CID 61357370

IUPAC2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCN1CCC(Oc2nc3ccccn3c2C(=O)O)CC1
InChIInChI=1S/C14H17N3O3/c1-16-8-5-10(6-9-16)20-13-12(14(18)19)17-7-3-2-4-11(17)15-13/h2-4,7,10H,5-6,8-9H2,1H3,(H,18,19)
InChIKeyCYRAPFBMYGAOIL-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.51
Rot. Bonds3

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

2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 61357370) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID61357370
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCN1CCC(Oc2nc3ccccn3c2C(=O)O)CC1
InChIInChI=1S/C14H17N3O3/c1-16-8-5-10(6-9-16)20-13-12(14(18)19)17-7-3-2-4-11(17)15-13/h2-4,7,10H,5-6,8-9H2,1H3,(H,18,19)
InChIKeyCYRAPFBMYGAOIL-UHFFFAOYSA-N
XLogP1.51
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid (CID 61357370) is 2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid is CN1CCC(Oc2nc3ccccn3c2C(=O)O)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is CYRAPFBMYGAOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-16-8-5-10(6-9-16)20-13-12(14(18)19)17-7-3-2-4-11(17)15-13/h2-4,7,10H,5-6,8-9H2,1H3,(H,18,19).
What are the key properties of 2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid?
2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 61357370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).