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

C27H26BrN3O6 — CID 42742881

IUPACethyl 2-[[6-bromo-2-[3-methoxy-4-(2-phenylmethoxyacetyl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCCOC(=O)CNc1c(-c2ccc(OC(=O)COCc3ccccc3)c(OC)c2)nc2ccc(Br)cn12
InChIInChI=1S/C27H26BrN3O6/c1-3-36-24(32)14-29-27-26(30-23-12-10-20(28)15-31(23)27)19-9-11-21(22(13-19)34-2)37-25(33)17-35-16-18-7-5-4-6-8-18/h4-13,15,29H,3,14,16-17H2,1-2H3
InChIKeyNLKTXINVILZXKD-UHFFFAOYSA-N
MW568.42 g/mol
LogP4.87
Rot. Bonds11

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

ethyl 2-[[6-bromo-2-[3-methoxy-4-(2-phenylmethoxyacetyl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate (PubChem CID 42742881) has the molecular formula C27H26BrN3O6 and a molecular weight of 568.42 g/mol. Its IUPAC name is ethyl 2-[[6-bromo-2-[3-methoxy-4-(2-phenylmethoxyacetyl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[6-bromo-2-[3-methoxy-4-(2-phenylmethoxyacetyl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate
PubChem CID42742881
Molecular FormulaC27H26BrN3O6
Molecular Weight568.42 g/mol
Exact Mass567.10
IUPAC Nameethyl 2-[[6-bromo-2-[3-methoxy-4-(2-phenylmethoxyacetyl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCCOC(=O)CNc1c(-c2ccc(OC(=O)COCc3ccccc3)c(OC)c2)nc2ccc(Br)cn12
InChIInChI=1S/C27H26BrN3O6/c1-3-36-24(32)14-29-27-26(30-23-12-10-20(28)15-31(23)27)19-9-11-21(22(13-19)34-2)37-25(33)17-35-16-18-7-5-4-6-8-18/h4-13,15,29H,3,14,16-17H2,1-2H3
InChIKeyNLKTXINVILZXKD-UHFFFAOYSA-N
XLogP4.87
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze ethyl 2-[[6-bromo-2-[3-methoxy-4-(2-phenylmethoxyacetyl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate with MolForge

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Related Compounds

[4-[6-bromo-3-[(2-ethoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate
CID 42742879
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] butanoate
CID 4221332
ethyl 2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 808620
[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-[(2-phenyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 42738205
3-[6-bromo-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2756936
(Z)-3-[6-bromo-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 92908070
ethyl 2-[(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808590
[3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate
CID 42742883
ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 11792775
4-bromo-N-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 42693813

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-bromo-2-[3-methoxy-4-(2-phenylmethoxyacetyl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The IUPAC name of ethyl 2-[[6-bromo-2-[3-methoxy-4-(2-phenylmethoxyacetyl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate (CID 42742881) is ethyl 2-[[6-bromo-2-[3-methoxy-4-(2-phenylmethoxyacetyl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[6-bromo-2-[3-methoxy-4-(2-phenylmethoxyacetyl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[6-bromo-2-[3-methoxy-4-(2-phenylmethoxyacetyl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate is CCOC(=O)CNc1c(-c2ccc(OC(=O)COCc3ccccc3)c(OC)c2)nc2ccc(Br)cn12.
What is the InChIKey of ethyl 2-[[6-bromo-2-[3-methoxy-4-(2-phenylmethoxyacetyl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The InChIKey is NLKTXINVILZXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrN3O6/c1-3-36-24(32)14-29-27-26(30-23-12-10-20(28)15-31(23)27)19-9-11-21(22(13-19)34-2)37-25(33)17-35-16-18-7-5-4-6-8-18/h4-13,15,29H,3,14,16-17H2,1-2H3.
What are the key properties of ethyl 2-[[6-bromo-2-[3-methoxy-4-(2-phenylmethoxyacetyl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate?
ethyl 2-[[6-bromo-2-[3-methoxy-4-(2-phenylmethoxyacetyl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate has a molecular weight of 568.42 g/mol, XLogP of 4.87, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-bromo-2-[3-methoxy-4-(2-phenylmethoxyacetyl)oxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate is sourced from PubChem (CID 42742881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).