[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate

C17H12F2N2O4 — CID 7226382

IUPAC[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESO=C(COC(=O)c1cn2ccccc2n1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H12F2N2O4/c18-17(19)25-12-6-4-11(5-7-12)14(22)10-24-16(23)13-9-21-8-2-1-3-15(21)20-13/h1-9,17H,10H2
InChIKeyLPCCHAPTLCMWMA-UHFFFAOYSA-N
MW346.29 g/mol
LogP2.98
Rot. Bonds6

About [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate

[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7226382) has the molecular formula C17H12F2N2O4 and a molecular weight of 346.29 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7226382
Molecular FormulaC17H12F2N2O4
Molecular Weight346.29 g/mol
Exact Mass346.08
IUPAC Name[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESO=C(COC(=O)c1cn2ccccc2n1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H12F2N2O4/c18-17(19)25-12-6-4-11(5-7-12)14(22)10-24-16(23)13-9-21-8-2-1-3-15(21)20-13/h1-9,17H,10H2
InChIKeyLPCCHAPTLCMWMA-UHFFFAOYSA-N
XLogP2.98
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226218
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40510204
butyl imidazo[1,2-a]pyridine-2-carboxylate
CID 112724658
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226286
1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol
CID 111466958
naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate
CID 7246898
[2-(trifluoromethyl)phenyl]methyl imidazo[1,2-a]pyridine-2-carboxylate
CID 7226410
cyclopropyl imidazo[1,2-a]pyridine-2-carboxylate
CID 165133317
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7594690
imidazo[1,2-a]pyridine-2-carbonyl chloride
CID 87400951
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246945
4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
CID 7931593

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate (CID 7226382) is [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate is O=C(COC(=O)c1cn2ccccc2n1)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is LPCCHAPTLCMWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O4/c18-17(19)25-12-6-4-11(5-7-12)14(22)10-24-16(23)13-9-21-8-2-1-3-15(21)20-13/h1-9,17H,10H2.
What are the key properties of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate?
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 346.29 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7226382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).