ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate

C15H10BrClFN3O2 — CID 137372681

IUPACethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2c(Cl)c(-c3cccc(F)c3)nc(Br)c2n1
InChIInChI=1S/C15H10BrClFN3O2/c1-2-23-15(22)10-7-21-13(17)11(20-12(16)14(21)19-10)8-4-3-5-9(18)6-8/h3-7H,2H2,1H3
InChIKeyCAPOIISEADZZPP-UHFFFAOYSA-N
MW398.62 g/mol
LogP4.13
Rot. Bonds3

About ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate

ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 137372681) has the molecular formula C15H10BrClFN3O2 and a molecular weight of 398.62 g/mol. Its IUPAC name is ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID137372681
Molecular FormulaC15H10BrClFN3O2
Molecular Weight398.62 g/mol
Exact Mass396.96
IUPAC Nameethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2c(Cl)c(-c3cccc(F)c3)nc(Br)c2n1
InChIInChI=1S/C15H10BrClFN3O2/c1-2-23-15(22)10-7-21-13(17)11(20-12(16)14(21)19-10)8-4-3-5-9(18)6-8/h3-7H,2H2,1H3
InChIKeyCAPOIISEADZZPP-UHFFFAOYSA-N
XLogP4.13
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.62
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-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

[8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 8-amino-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate
CID 159653925
ethyl 2-bromo-4-(3-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 131867352
ethyl 8-bromo-5-methylsulfanyl-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate
CID 139508768
ethyl 2-(4-bromophenoxy)-4-(3-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 122369285
ethyl 6-chloro-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 154730382
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
CID 70300240
CID 70300240
ethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 137481252
ethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate
CID 153338422
ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969
ethyl 2-bromo-3-(3-fluorophenyl)pyrrole-1-carboxylate
CID 66584724
ethyl 4-bromo-1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 162639246

Frequently Asked Questions

What is the IUPAC name of ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate (CID 137372681) is ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)c1cn2c(Cl)c(-c3cccc(F)c3)nc(Br)c2n1.
What is the InChIKey of ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is CAPOIISEADZZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN3O2/c1-2-23-15(22)10-7-21-13(17)11(20-12(16)14(21)19-10)8-4-3-5-9(18)6-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate?
ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 398.62 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 137372681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).