ethyl 3-(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoate

C19H18BrClN2O3 — CID 122621693

IUPACethyl 3-(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(c1ccccc1OC)c1c(Cl)nc2ccc(Br)cn12
InChIInChI=1S/C19H18BrClN2O3/c1-3-26-17(24)10-14(13-6-4-5-7-15(13)25-2)18-19(21)22-16-9-8-12(20)11-23(16)18/h4-9,11,14H,3,10H2,1-2H3
InChIKeyLGPUJWIDURWNEK-UHFFFAOYSA-N
MW437.72 g/mol
LogP4.84
Rot. Bonds6

About ethyl 3-(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoate

ethyl 3-(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoate (PubChem CID 122621693) has the molecular formula C19H18BrClN2O3 and a molecular weight of 437.72 g/mol. Its IUPAC name is ethyl 3-(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoate
PubChem CID122621693
Molecular FormulaC19H18BrClN2O3
Molecular Weight437.72 g/mol
Exact Mass436.02
IUPAC Nameethyl 3-(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(c1ccccc1OC)c1c(Cl)nc2ccc(Br)cn12
InChIInChI=1S/C19H18BrClN2O3/c1-3-26-17(24)10-14(13-6-4-5-7-15(13)25-2)18-19(21)22-16-9-8-12(20)11-23(16)18/h4-9,11,14H,3,10H2,1-2H3
InChIKeyLGPUJWIDURWNEK-UHFFFAOYSA-N
XLogP4.84
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.72
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoate (CID 122621693) is ethyl 3-(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoate is CCOC(=O)CC(c1ccccc1OC)c1c(Cl)nc2ccc(Br)cn12.
What is the InChIKey of ethyl 3-(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoate?
The InChIKey is LGPUJWIDURWNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O3/c1-3-26-17(24)10-14(13-6-4-5-7-15(13)25-2)18-19(21)22-16-9-8-12(20)11-23(16)18/h4-9,11,14H,3,10H2,1-2H3.
What are the key properties of ethyl 3-(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoate?
ethyl 3-(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoate has a molecular weight of 437.72 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 122621693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).