ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate

C18H17BrN2O3 — CID 86717925

IUPACethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(OCc3ccccc3)cc(Br)cn12
InChIInChI=1S/C18H17BrN2O3/c1-3-23-18(22)16-12(2)20-17-15(9-14(19)10-21(16)17)24-11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyAFIRIWVJZVHGGT-UHFFFAOYSA-N
MW389.25 g/mol
LogP4.16
Rot. Bonds5

About ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 86717925) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID86717925
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Nameethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(OCc3ccccc3)cc(Br)cn12
InChIInChI=1S/C18H17BrN2O3/c1-3-23-18(22)16-12(2)20-17-15(9-14(19)10-21(16)17)24-11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyAFIRIWVJZVHGGT-UHFFFAOYSA-N
XLogP4.16
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 118485078
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
ethyl 8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 86724715
ethyl 6-bromo-4-phenylmethoxypyridine-3-carboxylate
CID 59477910
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
ethyl 8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylate
CID 86718169
ethyl 1-methyl-3-(2-phenylmethoxyphenyl)pyrazole-5-carboxylate
CID 169144581
ethyl 8-bromo-3-phenylmethoxyquinoline-2-carboxylate
CID 167492148

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate (CID 86717925) is ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2c(OCc3ccccc3)cc(Br)cn12.
What is the InChIKey of ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is AFIRIWVJZVHGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-3-23-18(22)16-12(2)20-17-15(9-14(19)10-21(16)17)24-11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 389.25 g/mol, XLogP of 4.16, 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-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 86717925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).