ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate

C17H12BrCl2N3O3 — CID 57020246

IUPACethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1Br
InChIInChI=1S/C17H12BrCl2N3O3/c1-2-26-17(25)13-14(18)23-8-4-7-11(15(23)22-13)21-16(24)12-9(19)5-3-6-10(12)20/h3-8H,2H2,1H3,(H,21,24)
InChIKeyQUQPOPBEVPMLET-UHFFFAOYSA-N
MW457.11 g/mol
LogP4.83
Rot. Bonds4

About ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate

ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 57020246) has the molecular formula C17H12BrCl2N3O3 and a molecular weight of 457.11 g/mol. Its IUPAC name is ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID57020246
Molecular FormulaC17H12BrCl2N3O3
Molecular Weight457.11 g/mol
Exact Mass454.94
IUPAC Nameethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1Br
InChIInChI=1S/C17H12BrCl2N3O3/c1-2-26-17(25)13-14(18)23-8-4-7-11(15(23)22-13)21-16(24)12-9(19)5-3-6-10(12)20/h3-8H,2H2,1H3,(H,21,24)
InChIKeyQUQPOPBEVPMLET-UHFFFAOYSA-N
XLogP4.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.11
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 57170960
8-[(2,6-dichlorobenzoyl)amino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 54366359
2,6-dichloro-N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
CID 67767428
[8-[(2,6-dichlorobenzoyl)amino]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl acetate
CID 57093826
2,6-dichloro-N-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
CID 54237289
2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
CID 67767729
N-(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)-2-(2,6-dichlorophenyl)acetamide
CID 54375317
ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 171530837
2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide
CID 57028334
2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
CID 57001168
2,6-dichloro-N-(2-methylimidazo[1,2-a]pyridin-8-yl)benzamide
CID 10591757
ethyl 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82529178

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate (CID 57020246) is ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1Br.
What is the InChIKey of ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is QUQPOPBEVPMLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrCl2N3O3/c1-2-26-17(25)13-14(18)23-8-4-7-11(15(23)22-13)21-16(24)12-9(19)5-3-6-10(12)20/h3-8H,2H2,1H3,(H,21,24).
What are the key properties of ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 457.11 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 57020246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).