1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate

C19H18BrN3O4 — CID 72693206

IUPAC1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate
SMILESCOc1cc(C=CC(=O)OC(C)c2nc3ncc(Br)cc3[nH]2)cc(OC)c1
InChIInChI=1S/C19H18BrN3O4/c1-11(18-22-16-8-13(20)10-21-19(16)23-18)27-17(24)5-4-12-6-14(25-2)9-15(7-12)26-3/h4-11H,1-3H3,(H,21,22,23)
InChIKeyZEYAETLMVGXQCT-UHFFFAOYSA-N
MW432.27 g/mol
LogP4.06
Rot. Bonds6

About 1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate

1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate (PubChem CID 72693206) has the molecular formula C19H18BrN3O4 and a molecular weight of 432.27 g/mol. Its IUPAC name is 1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate
PubChem CID72693206
Molecular FormulaC19H18BrN3O4
Molecular Weight432.27 g/mol
Exact Mass431.05
IUPAC Name1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate
SMILESCOc1cc(C=CC(=O)OC(C)c2nc3ncc(Br)cc3[nH]2)cc(OC)c1
InChIInChI=1S/C19H18BrN3O4/c1-11(18-22-16-8-13(20)10-21-19(16)23-18)27-17(24)5-4-12-6-14(25-2)9-15(7-12)26-3/h4-11H,1-3H3,(H,21,22,23)
InChIKeyZEYAETLMVGXQCT-UHFFFAOYSA-N
XLogP4.06
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate 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

1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3-nitrophenyl)prop-2-enoate
CID 72690456
[(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate
CID 95310017
6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine
CID 12621816
1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 6-imidazol-1-ylpyridine-3-carboxylate
CID 75524747
[(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] (7S)-4,5,7-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 100612058
[(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7766637
ethyl 3-(3-bromo-5-methoxyphenyl)prop-2-enoate
CID 78141627
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl 3-methylbutanoate
CID 56805941
4-(3,5-dimethoxyphenyl)but-3-en-2-yl hydrogen carbonate
CID 175569727
2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol
CID 66166285
6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 69377270
[(1S)-1-(3-nitrophenyl)ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665564

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of 1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate (CID 72693206) is 1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for 1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for 1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate is COc1cc(C=CC(=O)OC(C)c2nc3ncc(Br)cc3[nH]2)cc(OC)c1.
What is the InChIKey of 1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate?
The InChIKey is ZEYAETLMVGXQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O4/c1-11(18-22-16-8-13(20)10-21-19(16)23-18)27-17(24)5-4-12-6-14(25-2)9-15(7-12)26-3/h4-11H,1-3H3,(H,21,22,23).
What are the key properties of 1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate?
1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate has a molecular weight of 432.27 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 72693206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).