[4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate

C26H24BrN3O6 — CID 42742879

IUPAC[4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate
SMILESCCOC(=O)CNc1c(-c2ccc(OC(=O)c3cccc(OC)c3)c(OC)c2)nc2ccc(Br)cn12
InChIInChI=1S/C26H24BrN3O6/c1-4-35-23(31)14-28-25-24(29-22-11-9-18(27)15-30(22)25)16-8-10-20(21(13-16)34-3)36-26(32)17-6-5-7-19(12-17)33-2/h5-13,15,28H,4,14H2,1-3H3
InChIKeyWFUKZILUEACOTI-UHFFFAOYSA-N
MW554.40 g/mol
LogP4.98
Rot. Bonds9

About [4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate

[4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate (PubChem CID 42742879) has the molecular formula C26H24BrN3O6 and a molecular weight of 554.40 g/mol. Its IUPAC name is [4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate.

Molecular Properties

Compound Name[4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate
PubChem CID42742879
Molecular FormulaC26H24BrN3O6
Molecular Weight554.40 g/mol
Exact Mass553.08
IUPAC Name[4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate
SMILESCCOC(=O)CNc1c(-c2ccc(OC(=O)c3cccc(OC)c3)c(OC)c2)nc2ccc(Br)cn12
InChIInChI=1S/C26H24BrN3O6/c1-4-35-23(31)14-28-25-24(29-22-11-9-18(27)15-30(22)25)16-8-10-20(21(13-16)34-3)36-26(32)17-6-5-7-19(12-17)33-2/h5-13,15,28H,4,14H2,1-3H3
InChIKeyWFUKZILUEACOTI-UHFFFAOYSA-N
XLogP4.98
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[6-bromo-2-[3-methoxy-4-(2-phenylmethoxyacetyl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 42742881
[4-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 4-methoxybenzoate
CID 4521142
ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 5099661
[4-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 2-fluorobenzoate
CID 42658934
ethyl 2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 808620
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate
CID 3349972
ethyl 2-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808619
[2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate
CID 4659842
[2-methoxy-4-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,5-dimethoxybenzoate
CID 3958228
4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 42693813
6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617918
3-[6-bromo-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2756936

Frequently Asked Questions

What is the IUPAC name of [4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate?
The IUPAC name of [4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate (CID 42742879) is [4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate.
What is the SMILES notation for [4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate?
The canonical SMILES for [4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate is CCOC(=O)CNc1c(-c2ccc(OC(=O)c3cccc(OC)c3)c(OC)c2)nc2ccc(Br)cn12.
What is the InChIKey of [4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate?
The InChIKey is WFUKZILUEACOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrN3O6/c1-4-35-23(31)14-28-25-24(29-22-11-9-18(27)15-30(22)25)16-8-10-20(21(13-16)34-3)36-26(32)17-6-5-7-19(12-17)33-2/h5-13,15,28H,4,14H2,1-3H3.
What are the key properties of [4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate?
[4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate has a molecular weight of 554.40 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate is sourced from PubChem (CID 42742879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).