3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate

C30H22Cl4N6O6 — CID 163411861

IUPAC3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1OC.COc1c(C(=O)O)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12
InChIInChI=1S/C16H13Cl2N3O3.C14H9Cl2N3O3/c1-3-24-16(22)12-7-20-21-13(8-19-15(21)14(12)23-2)9-4-10(17)6-11(18)5-9;1-22-12-10(14(20)21)5-18-19-11(6-17-13(12)19)7-2-8(15)4-9(16)3-7/h4-8H,3H2,1-2H3;2-6H,1H3,(H,20,21)
InChIKeyABEICVKILFQLGC-UHFFFAOYSA-N
MW704.35 g/mol
LogP7.30
Rot. Bonds7

About 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate

3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate (PubChem CID 163411861) has the molecular formula C30H22Cl4N6O6 and a molecular weight of 704.35 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate
PubChem CID163411861
Molecular FormulaC30H22Cl4N6O6
Molecular Weight704.35 g/mol
Exact Mass702.04
IUPAC Name3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1OC.COc1c(C(=O)O)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12
InChIInChI=1S/C16H13Cl2N3O3.C14H9Cl2N3O3/c1-3-24-16(22)12-7-20-21-13(8-19-15(21)14(12)23-2)9-4-10(17)6-11(18)5-9;1-22-12-10(14(20)21)5-18-19-11(6-17-13(12)19)7-2-8(15)4-9(16)3-7/h4-8H,3H2,1-2H3;2-6H,1H3,(H,20,21)
InChIKeyABEICVKILFQLGC-UHFFFAOYSA-N
XLogP7.30
TPSA142.44 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500704.35
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

Ethyl 1-[1-[1-(3,5-dichlorophenyl)ethyl]-7-methoxypyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate
CID 123299343
6-Chloro-2-(3-fluorophenyl)imidazo[1,2-b]pyridazine-8-carboxylic acid;methyl 6-chloro-2-(3-fluorophenyl)imidazo[1,2-b]pyridazine-8-carboxylate
CID 157533110
3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 158984732
Methyl 6-chloro-2-(2-methylphenyl)imidazo[1,2-b]pyridazine-8-carboxylate;methyl 2-(2-methylphenyl)imidazo[1,2-b]pyridazine-8-carboxylate
CID 159062911
Ethyl 6-chloro-2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate;ethyl 2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate
CID 159331891
Ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate;ethyl 2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
CID 161371003
Lithium;ethyl 2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylate;2-(2-methoxyphenyl)imidazo[1,2-b]pyridazine-8-carboxylic acid;hydroxide;hydrate
CID 161373465
Lithium;6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylic acid;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate;hydroxide;hydrate
CID 161754412
6-Chloro-2-(3-fluorophenyl)imidazo[1,2-b]pyridazine-8-carboxylic acid;2-(3-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
CID 162143916
6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
CID 162231460
Ethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494414
Methyl 3-(3,5-dichlorophenyl)-8-ethoxyimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494467

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate (CID 163411861) is 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate is CCOC(=O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1OC.COc1c(C(=O)O)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12.
What is the InChIKey of 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is ABEICVKILFQLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3.C14H9Cl2N3O3/c1-3-24-16(22)12-7-20-21-13(8-19-15(21)14(12)23-2)9-4-10(17)6-11(18)5-9;1-22-12-10(14(20)21)5-18-19-11(6-17-13(12)19)7-2-8(15)4-9(16)3-7/h4-8H,3H2,1-2H3;2-6H,1H3,(H,20,21).
What are the key properties of 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate?
3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 704.35 g/mol, XLogP of 7.30, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 163411861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).