ethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate

C24H21Cl2N3O5S — CID 42742915

IUPACethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCCOC(=O)CNc1c(-c2ccc(OS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)nc2ccc(C)cn12
InChIInChI=1S/C24H21Cl2N3O5S/c1-3-33-22(30)13-27-24-23(28-21-11-4-15(2)14-29(21)24)16-5-8-18(9-6-16)34-35(31,32)20-12-17(25)7-10-19(20)26/h4-12,14,27H,3,13H2,1-2H3
InChIKeyVBLSFUZLBDYEEX-UHFFFAOYSA-N
MW534.42 g/mol
LogP5.36
Rot. Bonds8

About ethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate

ethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate (PubChem CID 42742915) has the molecular formula C24H21Cl2N3O5S and a molecular weight of 534.42 g/mol. Its IUPAC name is ethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate
PubChem CID42742915
Molecular FormulaC24H21Cl2N3O5S
Molecular Weight534.42 g/mol
Exact Mass533.06
IUPAC Nameethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCCOC(=O)CNc1c(-c2ccc(OS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)nc2ccc(C)cn12
InChIInChI=1S/C24H21Cl2N3O5S/c1-3-33-22(30)13-27-24-23(28-21-11-4-15(2)14-29(21)24)16-5-8-18(9-6-16)34-35(31,32)20-12-17(25)7-10-19(20)26/h4-12,14,27H,3,13H2,1-2H3
InChIKeyVBLSFUZLBDYEEX-UHFFFAOYSA-N
XLogP5.36
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.42
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze ethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate with MolForge

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Related Compounds

ethyl 2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 808620
ethyl 2-[[2-[4-(4-tert-butylphenyl)sulfonyloxyphenyl]-6-chloroimidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 3416173
ethyl 2-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808619
ethyl 2-[[6-chloro-2-[3-(2,4-dinitrophenyl)sulfonyloxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 3948671
ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 83282409
2,4-dichloro-N-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 42881641
ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 5099661
ethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate
CID 42881647
ethyl 2-[(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808590
ethyl 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetate
CID 58763578
ethyl 4-(2,5-dichlorophenyl)sulfonyloxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 43993040
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,5-dichlorobenzoate
CID 7679283

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate (CID 42742915) is ethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate is CCOC(=O)CNc1c(-c2ccc(OS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)nc2ccc(C)cn12.
What is the InChIKey of ethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate?
The InChIKey is VBLSFUZLBDYEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O5S/c1-3-33-22(30)13-27-24-23(28-21-11-4-15(2)14-29(21)24)16-5-8-18(9-6-16)34-35(31,32)20-12-17(25)7-10-19(20)26/h4-12,14,27H,3,13H2,1-2H3.
What are the key properties of ethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate?
ethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate has a molecular weight of 534.42 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate is sourced from PubChem (CID 42742915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).