ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate

C17H16BrN3O3 — CID 5099661

IUPACethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCCOC(=O)CNc1c(-c2ccc(O)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C17H16BrN3O3/c1-2-24-15(23)9-19-17-16(11-3-6-13(22)7-4-11)20-14-8-5-12(18)10-21(14)17/h3-8,10,19,22H,2,9H2,1H3
InChIKeyVABPWTKVFJKSQG-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.44
Rot. Bonds5

About ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate

ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate (PubChem CID 5099661) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
PubChem CID5099661
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC Nameethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCCOC(=O)CNc1c(-c2ccc(O)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C17H16BrN3O3/c1-2-24-15(23)9-19-17-16(11-3-6-13(22)7-4-11)20-14-8-5-12(18)10-21(14)17/h3-8,10,19,22H,2,9H2,1H3
InChIKeyVABPWTKVFJKSQG-UHFFFAOYSA-N
XLogP3.44
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The IUPAC name of ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate (CID 5099661) is ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate is CCOC(=O)CNc1c(-c2ccc(O)cc2)nc2ccc(Br)cn12.
What is the InChIKey of ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The InChIKey is VABPWTKVFJKSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-2-24-15(23)9-19-17-16(11-3-6-13(22)7-4-11)20-14-8-5-12(18)10-21(14)17/h3-8,10,19,22H,2,9H2,1H3.
What are the key properties of ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate has a molecular weight of 390.24 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate is sourced from PubChem (CID 5099661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).