8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide

C48H41BrF4I3N9O6 — CID 159050765

IUPAC8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide
SMILESC.COC(=O)c1cn2nc(-c3ccc(F)cc3)cc(Br)c2n1.COC(=O)c1cn2nc(-c3ccc(F)cc3)cc(C3CC3)c2n1.F.I.II.O=C(O)c1cn2nc(-c3ccc(F)cc3)cc(C3CC3)c2n1
InChIInChI=1S/C17H14FN3O2.C16H12FN3O2.C14H9BrFN3O2.CH4.FH.I2.HI/c1-23-17(22)15-9-21-16(19-15)13(10-2-3-10)8-14(20-21)11-4-6-12(18)7-5-11;17-11-5-3-10(4-6-11)13-7-12(9-1-2-9)15-18-14(16(21)22)8-20(15)19-13;1-21-14(20)12-7-19-13(17-12)10(15)6-11(18-19)8-2-4-9(16)5-3-8;;;1-2;/h4-10H,2-3H2,1H3;3-9H,1-2H2,(H,21,22);2-7H,1H3;1H4;1H;;1H
InChIKeyCAXCYDVQUAOVGA-UHFFFAOYSA-N
MW1376.52 g/mol
LogP12.57
Rot. Bonds8

About 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide

8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide (PubChem CID 159050765) has the molecular formula C48H41BrF4I3N9O6 and a molecular weight of 1376.52 g/mol. Its IUPAC name is 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide.

Molecular Properties

Compound Name8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide
PubChem CID159050765
Molecular FormulaC48H41BrF4I3N9O6
Molecular Weight1376.52 g/mol
Exact Mass1374.94
IUPAC Name8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide
SMILESC.COC(=O)c1cn2nc(-c3ccc(F)cc3)cc(Br)c2n1.COC(=O)c1cn2nc(-c3ccc(F)cc3)cc(C3CC3)c2n1.F.I.II.O=C(O)c1cn2nc(-c3ccc(F)cc3)cc(C3CC3)c2n1
InChIInChI=1S/C17H14FN3O2.C16H12FN3O2.C14H9BrFN3O2.CH4.FH.I2.HI/c1-23-17(22)15-9-21-16(19-15)13(10-2-3-10)8-14(20-21)11-4-6-12(18)7-5-11;17-11-5-3-10(4-6-11)13-7-12(9-1-2-9)15-18-14(16(21)22)8-20(15)19-13;1-21-14(20)12-7-19-13(17-12)10(15)6-11(18-19)8-2-4-9(16)5-3-8;;;1-2;/h4-10H,2-3H2,1H3;3-9H,1-2H2,(H,21,22);2-7H,1H3;1H4;1H;;1H
InChIKeyCAXCYDVQUAOVGA-UHFFFAOYSA-N
XLogP12.57
TPSA180.47 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001376.52
LogP ≤ 512.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide with MolForge

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Related Compounds

Tert-butyl 4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 157229626
Methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylate
CID 158499827
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
7,8-Dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid;ethyl 7,8-dimethyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate
CID 160079526
3-benzyl-7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-bromo-2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;7-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethyl 7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;7-ethyl-8-(4-fluorophenyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-ethyl-3-methoxy-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;7-ethyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-ethyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-ethyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-ethyl-7-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-ethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 160713623
6-(4-Fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylate
CID 161502529
6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 69203272
methyl 8-(3,6-dihydro-2H-pyran-4-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carboxylate
CID 157198105
8-Tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;phosphane;hydrate;hydroiodide
CID 157256694
Ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-phenylimidazo[1,2-a]pyridine-2-carboxylate;6-phenylimidazo[1,2-a]pyridine-2-carboxylic acid;6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
CID 157633226
Deuterium monohydride;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydroiodide
CID 157639323
potassium;tert-butyl (2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;hydride;methane;molecular iodine;hydroiodide
CID 157730744

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide?
The IUPAC name of 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide (CID 159050765) is 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide.
What is the SMILES notation for 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide?
The canonical SMILES for 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide is C.COC(=O)c1cn2nc(-c3ccc(F)cc3)cc(Br)c2n1.COC(=O)c1cn2nc(-c3ccc(F)cc3)cc(C3CC3)c2n1.F.I.II.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;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide?
The InChIKey is CAXCYDVQUAOVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2.C16H12FN3O2.C14H9BrFN3O2.CH4.FH.I2.HI/c1-23-17(22)15-9-21-16(19-15)13(10-2-3-10)8-14(20-21)11-4-6-12(18)7-5-11;17-11-5-3-10(4-6-11)13-7-12(9-1-2-9)15-18-14(16(21)22)8-20(15)19-13;1-21-14(20)12-7-19-13(17-12)10(15)6-11(18-19)8-2-4-9(16)5-3-8;;;1-2;/h4-10H,2-3H2,1H3;3-9H,1-2H2,(H,21,22);2-7H,1H3;1H4;1H;;1H.
What are the key properties of 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide?
8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide has a molecular weight of 1376.52 g/mol, XLogP of 12.57, 8 rotatable bonds, 1 hydrogen bond donors, and 14 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;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;methyl 8-cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;hydrofluoride;hydroiodide is sourced from PubChem (CID 159050765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).