ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate

C30H21BrCl4N6O5 — CID 163938511

IUPACethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1c[nH]n2cc(-c3cc(Cl)cc(Cl)c3)nc2c1=O.CCOC(=O)c1cnn2cc(-c3cc(Cl)cc(Cl)c3)nc2c1Br
InChIInChI=1S/C15H10BrCl2N3O2.C15H11Cl2N3O3/c1-2-23-15(22)11-6-19-21-7-12(20-14(21)13(11)16)8-3-9(17)5-10(18)4-8;1-2-23-15(22)11-6-18-20-7-12(19-14(20)13(11)21)8-3-9(16)5-10(17)4-8/h3-7H,2H2,1H3;3-7,18H,2H2,1H3
InChIKeyZYOGFPOMXYQYRE-UHFFFAOYSA-N
MW767.25 g/mol
LogP7.82
Rot. Bonds6

About ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate

ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate (PubChem CID 163938511) has the molecular formula C30H21BrCl4N6O5 and a molecular weight of 767.25 g/mol. Its IUPAC name is ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
PubChem CID163938511
Molecular FormulaC30H21BrCl4N6O5
Molecular Weight767.25 g/mol
Exact Mass763.95
IUPAC Nameethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1c[nH]n2cc(-c3cc(Cl)cc(Cl)c3)nc2c1=O.CCOC(=O)c1cnn2cc(-c3cc(Cl)cc(Cl)c3)nc2c1Br
InChIInChI=1S/C15H10BrCl2N3O2.C15H11Cl2N3O3/c1-2-23-15(22)11-6-19-21-7-12(20-14(21)13(11)16)8-3-9(17)5-10(18)4-8;1-2-23-15(22)11-6-18-20-7-12(19-14(20)13(11)21)8-3-9(16)5-10(17)4-8/h3-7H,2H2,1H3;3-7,18H,2H2,1H3
InChIKeyZYOGFPOMXYQYRE-UHFFFAOYSA-N
XLogP7.82
TPSA132.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.25
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate with MolForge

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Related Compounds

ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
CID 162494484
ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
CID 162494493
ethyl 8-methoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-oxo-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazine-7-carboxylate
CID 163752253
(3,5-dichlorophenyl)boronic acid;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
CID 163743315
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
CID 134551584
ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate;ethyl 2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
CID 161371003
ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494367
ethyl 5-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986808
ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 155425580
ethyl 6-bromo-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate
CID 169163079
ethyl (12R)-12-methyl-10-oxa-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxylate
CID 155425476

Frequently Asked Questions

What is the IUPAC name of ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate (CID 163938511) is ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate is CCOC(=O)c1c[nH]n2cc(-c3cc(Cl)cc(Cl)c3)nc2c1=O.CCOC(=O)c1cnn2cc(-c3cc(Cl)cc(Cl)c3)nc2c1Br.
What is the InChIKey of ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is ZYOGFPOMXYQYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2N3O2.C15H11Cl2N3O3/c1-2-23-15(22)11-6-19-21-7-12(20-14(21)13(11)16)8-3-9(17)5-10(18)4-8;1-2-23-15(22)11-6-18-20-7-12(19-14(20)13(11)21)8-3-9(16)5-10(17)4-8/h3-7H,2H2,1H3;3-7,18H,2H2,1H3.
What are the key properties of ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate?
ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 767.25 g/mol, XLogP of 7.82, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 163938511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).