1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid

C20H20FN3O2 — CID 2759101

IUPAC1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2c(-c3ccc(F)cc3)nc3ccccn23)CC1
InChIInChI=1S/C20H20FN3O2/c21-16-6-4-14(5-7-16)19-17(24-10-2-1-3-18(24)22-19)13-23-11-8-15(9-12-23)20(25)26/h1-7,10,15H,8-9,11-13H2,(H,25,26)
InChIKeyGYMOYBLUHVJMPK-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.44
Rot. Bonds4

About 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid

1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 2759101) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
PubChem CID2759101
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2c(-c3ccc(F)cc3)nc3ccccn23)CC1
InChIInChI=1S/C20H20FN3O2/c21-16-6-4-14(5-7-16)19-17(24-10-2-1-3-18(24)22-19)13-23-11-8-15(9-12-23)20(25)26/h1-7,10,15H,8-9,11-13H2,(H,25,26)
InChIKeyGYMOYBLUHVJMPK-UHFFFAOYSA-N
XLogP3.44
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid (CID 2759101) is 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2c(-c3ccc(F)cc3)nc3ccccn23)CC1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is GYMOYBLUHVJMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-16-6-4-14(5-7-16)19-17(24-10-2-1-3-18(24)22-19)13-23-11-8-15(9-12-23)20(25)26/h1-7,10,15H,8-9,11-13H2,(H,25,26).
What are the key properties of 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid?
1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 353.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 2759101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).