ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate

C21H17F3N4O2 — CID 122510556

IUPACethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
InChIInChI=1S/C21H17F3N4O2/c1-2-30-21(29)16-9-25-18-8-5-14(10-28(16)18)20-19(13-3-6-15(22)7-4-13)26-12-27(20)11-17(23)24/h3-10,12,17H,2,11H2,1H3
InChIKeyPXQPGDBTKNTEBI-UHFFFAOYSA-N
MW414.39 g/mol
LogP4.45
Rot. Bonds6

About ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 122510556) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID122510556
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC Nameethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
InChIInChI=1S/C21H17F3N4O2/c1-2-30-21(29)16-9-25-18-8-5-14(10-28(16)18)20-19(13-3-6-15(22)7-4-13)26-12-27(20)11-17(23)24/h3-10,12,17H,2,11H2,1H3
InChIKeyPXQPGDBTKNTEBI-UHFFFAOYSA-N
XLogP4.45
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate (CID 122510556) is ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.
What is the InChIKey of ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is PXQPGDBTKNTEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c1-2-30-21(29)16-9-25-18-8-5-14(10-28(16)18)20-19(13-3-6-15(22)7-4-13)26-12-27(20)11-17(23)24/h3-10,12,17H,2,11H2,1H3.
What are the key properties of ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 414.39 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 122510556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).