methyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate

C15H9Br2Cl2N3O2 — CID 58886649

IUPACmethyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cn2c(Br)cnc2c(Cl)c1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C15H9Br2Cl2N3O2/c1-24-15(23)8-6-22-11(17)5-20-14(22)12(19)13(8)21-10-3-2-7(16)4-9(10)18/h2-6,21H,1H3
InChIKeyPIFAYHZCFLYBAQ-UHFFFAOYSA-N
MW493.97 g/mol
LogP5.70
Rot. Bonds3

About methyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate

methyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 58886649) has the molecular formula C15H9Br2Cl2N3O2 and a molecular weight of 493.97 g/mol. Its IUPAC name is methyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID58886649
Molecular FormulaC15H9Br2Cl2N3O2
Molecular Weight493.97 g/mol
Exact Mass490.84
IUPAC Namemethyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cn2c(Br)cnc2c(Cl)c1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C15H9Br2Cl2N3O2/c1-24-15(23)8-6-22-11(17)5-20-14(22)12(19)13(8)21-10-3-2-7(16)4-9(10)18/h2-6,21H,1H3
InChIKeyPIFAYHZCFLYBAQ-UHFFFAOYSA-N
XLogP5.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.97
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate with MolForge

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Related Compounds

methyl 6-(4-bromo-2-chloroanilino)-7-chloro-3-methylbenzimidazole-5-carboxylate
CID 68817358
methyl 6-(4-bromo-2-chloroanilino)-7-chloro-3H-benzimidazole-5-carboxylate
CID 68817775
7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide
CID 11685443
7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 58760536
7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 89353165
methyl 6-(4-bromo-2-chloroanilino)-3-(2-chloroethyl)-7-fluorobenzimidazole-5-carboxylate
CID 69087613
tert-butyl 4-(4-bromo-2-chloroanilino)-6-chloropyridine-3-carboxylate
CID 86596778
2-[[7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carbonyl]amino]oxyethyl dihydrogen phosphate
CID 58760505
methyl 4-(4-bromo-2-chloroanilino)-5-fluoro-6-oxo-1H-pyridazine-3-carboxylate
CID 69100438
methyl 5-amino-2-(5-bromo-2-methylanilino)-3-chlorobenzoate
CID 107194293
8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 59991464
7-(4-bromo-2-fluoroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxamide
CID 71189060

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate (CID 58886649) is methyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1cn2c(Br)cnc2c(Cl)c1Nc1ccc(Br)cc1Cl.
What is the InChIKey of methyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is PIFAYHZCFLYBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2Cl2N3O2/c1-24-15(23)8-6-22-11(17)5-20-14(22)12(19)13(8)21-10-3-2-7(16)4-9(10)18/h2-6,21H,1H3.
What are the key properties of methyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 493.97 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 58886649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).