methyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate

C17H13Br3N2O3 — CID 18923235

IUPACmethyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate
SMILESCOC(=O)c1cc(Br)c(COc2cccn3c(Br)c(C)nc23)c(Br)c1
InChIInChI=1S/C17H13Br3N2O3/c1-9-15(20)22-5-3-4-14(16(22)21-9)25-8-11-12(18)6-10(7-13(11)19)17(23)24-2/h3-7H,8H2,1-2H3
InChIKeyYEAPFWAVZUCEFL-UHFFFAOYSA-N
MW533.01 g/mol
LogP5.30
Rot. Bonds4

About methyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate

methyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate (PubChem CID 18923235) has the molecular formula C17H13Br3N2O3 and a molecular weight of 533.01 g/mol. Its IUPAC name is methyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate
PubChem CID18923235
Molecular FormulaC17H13Br3N2O3
Molecular Weight533.01 g/mol
Exact Mass529.85
IUPAC Namemethyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate
SMILESCOC(=O)c1cc(Br)c(COc2cccn3c(Br)c(C)nc23)c(Br)c1
InChIInChI=1S/C17H13Br3N2O3/c1-9-15(20)22-5-3-4-14(16(22)21-9)25-8-11-12(18)6-10(7-13(11)19)17(23)24-2/h3-7H,8H2,1-2H3
InChIKeyYEAPFWAVZUCEFL-UHFFFAOYSA-N
XLogP5.30
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.01
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate with MolForge

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Related Compounds

3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride
CID 18923317
1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea
CID 10504612
methyl 3-[(1S)-1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]benzoate
CID 90091198
3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine
CID 11796916
[acetyl-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino] acetate;hydrochloride
CID 18923532
methyl 3-[(2R)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoate
CID 118321164
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide
CID 10649831
2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
CID 18923379
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 67625015
3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine
CID 23371756
N-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide
CID 10579723
8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
CID 86717886

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate?
The IUPAC name of methyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate (CID 18923235) is methyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate.
What is the SMILES notation for methyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate?
The canonical SMILES for methyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate is COC(=O)c1cc(Br)c(COc2cccn3c(Br)c(C)nc23)c(Br)c1.
What is the InChIKey of methyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate?
The InChIKey is YEAPFWAVZUCEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Br3N2O3/c1-9-15(20)22-5-3-4-14(16(22)21-9)25-8-11-12(18)6-10(7-13(11)19)17(23)24-2/h3-7H,8H2,1-2H3.
What are the key properties of methyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate?
methyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate has a molecular weight of 533.01 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate is sourced from PubChem (CID 18923235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).