ethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate

C18H14BrF3N2O3 — CID 118485078

IUPACethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(OCc3c(F)ccc(F)c3F)cc(Br)cn12
InChIInChI=1S/C18H14BrF3N2O3/c1-3-26-18(25)16-9(2)23-17-14(6-10(19)7-24(16)17)27-8-11-12(20)4-5-13(21)15(11)22/h4-7H,3,8H2,1-2H3
InChIKeyFZOSXYWUSZWDRA-UHFFFAOYSA-N
MW443.22 g/mol
LogP4.58
Rot. Bonds5

About ethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 118485078) has the molecular formula C18H14BrF3N2O3 and a molecular weight of 443.22 g/mol. Its IUPAC name is ethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID118485078
Molecular FormulaC18H14BrF3N2O3
Molecular Weight443.22 g/mol
Exact Mass442.01
IUPAC Nameethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(OCc3c(F)ccc(F)c3F)cc(Br)cn12
InChIInChI=1S/C18H14BrF3N2O3/c1-3-26-18(25)16-9(2)23-17-14(6-10(19)7-24(16)17)27-8-11-12(20)4-5-13(21)15(11)22/h4-7H,3,8H2,1-2H3
InChIKeyFZOSXYWUSZWDRA-UHFFFAOYSA-N
XLogP4.58
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.22
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze ethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 90089878
ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 86717925
ethyl 8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 86724715
[6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl] hydrogen carbonate
CID 118485053
ethyl 8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylate
CID 86718169
6-bromo-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129268103
N-(2-amino-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 90232417
2,6-dimethyl-N-morpholin-4-yl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 118385328
8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 86717884
N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 86724807
1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6,6,7,7,7-pentafluoro-3-(2-hydroxypropan-2-yl)heptan-1-one
CID 160956973
4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one
CID 159478514

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate (CID 118485078) is ethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2c(OCc3c(F)ccc(F)c3F)cc(Br)cn12.
What is the InChIKey of ethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is FZOSXYWUSZWDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF3N2O3/c1-3-26-18(25)16-9(2)23-17-14(6-10(19)7-24(16)17)27-8-11-12(20)4-5-13(21)15(11)22/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 443.22 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 118485078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).