8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate

C90H64BrF9N18O12 — CID 159628142

About 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate

8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 159628142) has the molecular formula C90H64BrF9N18O12 and a molecular weight of 1840.50 g/mol. Its IUPAC name is 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

• Compound Name: 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate
• PubChem CID: 159628142
• Molecular Formula: C90H64BrF9N18O12
• Molecular Weight: 1840.50 g/mol
• Exact Mass: 1838.40
• IUPAC Name: 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate
• SMILES: C=C(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)O)nc12.CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)O)nc12.COC(=O)c1cn2nc(-c3ccc(F)cc3)cc(Br)c2n1.Cc1cc(-c2ccc(F)cc2)nn2cc(C(=O)O)nc12.O=C(O)c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1.O=C(O)c1cn2nc(-c3ccc(F)cc3)cc(C3CC3)c2n1
• InChI: InChI=1S/C16H12FN3O2.C16H14FN3O2.C16H12FN3O2.C14H9BrFN3O2.C14H7F4N3O2.C14H10FN3O2/c17-11-5-3-10(4-6-11)13-7-12(9-1-2-9)15-18-14(16(21)22)8-20(15)19-13;2*1-9(2)12-7-13(10-3-5-11(17)6-4-10)19-20-8-14(16(21)22)18-15(12)20;1-21-14(20)12-7-19-13(17-12)10(15)6-11(18-19)8-2-4-9(16)5-3-8;15-8-3-1-7(2-4-8)10-5-9(14(16,17)18)12-19-11(13(22)23)6-21(12)20-10;1-8-6-11(9-2-4-10(15)5-3-9)17-18-7-12(14(19)20)16-13(8)18/h3-9H,1-2H2,(H,21,22);3-9H,1-2H3,(H,21,22);3-8H,1H2,2H3,(H,21,22);2-7H,1H3;1-6H,(H,22,23);2-7H,1H3,(H,19,20)
• InChIKey: MOTORCXOJRBHKU-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 393.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.50
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate?

The IUPAC name of 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate (CID 159628142) is 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate.

What is the SMILES notation for 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate?

The canonical SMILES for 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate is C=C(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)O)nc12.CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)O)nc12.COC(=O)c1cn2nc(-c3ccc(F)cc3)cc(Br)c2n1.Cc1cc(-c2ccc(F)cc2)nn2cc(C(=O)O)nc12.O=C(O)c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1.O=C(O)c1cn2nc(-c3ccc(F)cc3)cc(C3CC3)c2n1.

What is the InChIKey of 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate?

The InChIKey is MOTORCXOJRBHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2.C16H14FN3O2.C16H12FN3O2.C14H9BrFN3O2.C14H7F4N3O2.C14H10FN3O2/c17-11-5-3-10(4-6-11)13-7-12(9-1-2-9)15-18-14(16(21)22)8-20(15)19-13;2*1-9(2)12-7-13(10-3-5-11(17)6-4-10)19-20-8-14(16(21)22)18-15(12)20;1-21-14(20)12-7-19-13(17-12)10(15)6-11(18-19)8-2-4-9(16)5-3-8;15-8-3-1-7(2-4-8)10-5-9(14(16,17)18)12-19-11(13(22)23)6-21(12)20-10;1-8-6-11(9-2-4-10(15)5-3-9)17-18-7-12(14(19)20)16-13(8)18/h3-9H,1-2H2,(H,21,22);3-9H,1-2H3,(H,21,22);3-8H,1H2,2H3,(H,21,22);2-7H,1H3;1-6H,(H,22,23);2-7H,1H3,(H,19,20).

What are the key properties of 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate?

8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 1840.50 g/mol, XLogP of 18.61, 15 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 159628142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).