6-(3-bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine — IUPAC name, SMILES, InChIKey & properties

Name: 6-(3-bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 6-(3-bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine

6-(3-bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine (PubChem CID 159213082) has the molecular formula C71H56BrF10N15O4 and a molecular weight of 1453.21 g/mol. Its IUPAC name is 6-(3-bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine.

Molecular Properties

Compound Name	6-(3-bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine
PubChem CID	159213082
Molecular Formula	C71H56BrF10N15O4
Molecular Weight	1453.21 g/mol
Exact Mass	1451.37
IUPAC Name	6-(3-bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine
SMILES	COc1cc(-c2ccc3cnc(C)n3n2)ccc1C.COc1ccc(-c2ccc3cnc(C(F)(F)F)n3n2)c(C)c1.COc1ccc(-c2ccc3cnc(C(F)(F)F)n3n2)cc1F.COc1ccc(-c2ccc3cnc(C(F)F)n3n2)cc1F.Cc1ccc(-c2ccc3nccn3n2)cc1Br
InChI	InChI=1S/C15H12F3N3O.C15H15N3O.C14H9F4N3O.C14H10F3N3O.C13H10BrN3/c1-9-7-11(22-2)4-5-12(9)13-6-3-10-8-19-14(15(16,17)18)21(10)20-13;1-10-4-5-12(8-15(10)19-3)14-7-6-13-9-16-11(2)18(13)17-14;1-22-12-5-2-8(6-10(12)15)11-4-3-9-7-19-13(14(16,17)18)21(9)20-11;1-21-12-5-2-8(6-10(12)15)11-4-3-9-7-18-14(13(16)17)20(9)19-11;1-9-2-3-10(8-11(9)14)12-4-5-13-15-6-7-17(13)16-12/h3-8H,1-2H3;4-9H,1-3H3;2-7H,1H3;2-7,13H,1H3;2-8H,1H3
InChIKey	KQSXRJDBOYZQRA-UHFFFAOYSA-N
XLogP	17.27
TPSA	187.87 Å²
H-Bond Donors
H-Bond Acceptors	19
Rotatable Bonds	10
Heavy Atoms	101
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1453.21
LogP ≤ 5	17.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Analyze 6-(3-bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine?

The IUPAC name of 6-(3-bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine (CID 159213082) is 6-(3-bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine.

What is the SMILES notation for 6-(3-bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine?

The canonical SMILES for 6-(3-bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine is COc1cc(-c2ccc3cnc(C)n3n2)ccc1C.COc1ccc(-c2ccc3cnc(C(F)(F)F)n3n2)c(C)c1.COc1ccc(-c2ccc3cnc(C(F)(F)F)n3n2)cc1F.COc1ccc(-c2ccc3cnc(C(F)F)n3n2)cc1F.Cc1ccc(-c2ccc3nccn3n2)cc1Br.

What is the InChIKey of 6-(3-bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine?

The InChIKey is KQSXRJDBOYZQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O.C15H15N3O.C14H9F4N3O.C14H10F3N3O.C13H10BrN3/c1-9-7-11(22-2)4-5-12(9)13-6-3-10-8-19-14(15(16,17)18)21(10)20-13;1-10-4-5-12(8-15(10)19-3)14-7-6-13-9-16-11(2)18(13)17-14;1-22-12-5-2-8(6-10(12)15)11-4-3-9-7-19-13(14(16,17)18)21(9)20-11;1-21-12-5-2-8(6-10(12)15)11-4-3-9-7-18-14(13(16)17)20(9)19-11;1-9-2-3-10(8-11(9)14)12-4-5-13-15-6-7-17(13)16-12/h3-8H,1-2H3;4-9H,1-3H3;2-7H,1H3;2-7,13H,1H3;2-8H,1H3.

What are the key properties of 6-(3-bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine?

Where does this data come from?

All data for 6-(3-bromo-4-methylphenyl)imidazo[1,2-b]pyridazine;7-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazine;2-(3-fluoro-4-methoxyphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine;2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine;2-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)imidazo[1,5-b]pyridazine is sourced from PubChem (CID 159213082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).