8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone

C107H103F9N26O8 — CID 157210328

IUPAC8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN[C@@H](C)C3)nc12.CCc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN[C@@H](C)C3)nc12.CCc1cc(-c2ccc(F)cc2)nn2cc(C(=O)O)nc12.C[C@H]1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CCN1.Cc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN[C@@H](C)C3)nc12.O=C(O)c1cn2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C21H24FN5O.C20H22FN5O.C19H17F4N5O.C19H20FN5O.C15H12FN3O2.C13H8FN3O2/c1-13(2)17-10-18(15-4-6-16(22)7-5-15)25-27-12-19(24-20(17)27)21(28)26-9-8-23-14(3)11-26;1-3-14-10-17(15-4-6-16(21)7-5-15)24-26-12-18(23-19(14)26)20(27)25-9-8-22-13(2)11-25;1-11-9-27(7-6-24-11)18(29)16-10-28-17(25-16)14(19(21,22)23)8-15(26-28)12-2-4-13(20)5-3-12;1-12-9-16(14-3-5-15(20)6-4-14)23-25-11-17(22-18(12)25)19(26)24-8-7-21-13(2)10-24;1-2-9-7-12(10-3-5-11(16)6-4-10)18-19-8-13(15(20)21)17-14(9)19;14-9-3-1-8(2-4-9)10-5-6-12-15-11(13(18)19)7-17(12)16-10/h4-7,10,12-14,23H,8-9,11H2,1-3H3;4-7,10,12-13,22H,3,8-9,11H2,1-2H3;2-5,8,10-11,24H,6-7,9H2,1H3;3-6,9,11,13,21H,7-8,10H2,1-2H3;3-8H,2H2,1H3,(H,20,21);1-7H,(H,18,19)/t14-;13-;11-;13-;;/m0000../s1
InChIKeyARUWIWYZJDVZIF-TUVVUPNWSA-N
MW2052.16 g/mol
LogP15.92
Rot. Bonds15

About 8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone

8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone (PubChem CID 157210328) has the molecular formula C107H103F9N26O8 and a molecular weight of 2052.16 g/mol. Its IUPAC name is 8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
PubChem CID157210328
Molecular FormulaC107H103F9N26O8
Molecular Weight2052.16 g/mol
Exact Mass2050.83
IUPAC Name8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN[C@@H](C)C3)nc12.CCc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN[C@@H](C)C3)nc12.CCc1cc(-c2ccc(F)cc2)nn2cc(C(=O)O)nc12.C[C@H]1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CCN1.Cc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN[C@@H](C)C3)nc12.O=C(O)c1cn2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C21H24FN5O.C20H22FN5O.C19H17F4N5O.C19H20FN5O.C15H12FN3O2.C13H8FN3O2/c1-13(2)17-10-18(15-4-6-16(22)7-5-15)25-27-12-19(24-20(17)27)21(28)26-9-8-23-14(3)11-26;1-3-14-10-17(15-4-6-16(21)7-5-15)24-26-12-18(23-19(14)26)20(27)25-9-8-22-13(2)11-25;1-11-9-27(7-6-24-11)18(29)16-10-28-17(25-16)14(19(21,22)23)8-15(26-28)12-2-4-13(20)5-3-12;1-12-9-16(14-3-5-15(20)6-4-14)23-25-11-17(22-18(12)25)19(26)24-8-7-21-13(2)10-24;1-2-9-7-12(10-3-5-11(16)6-4-10)18-19-8-13(15(20)21)17-14(9)19;14-9-3-1-8(2-4-9)10-5-6-12-15-11(13(18)19)7-17(12)16-10/h4-7,10,12-14,23H,8-9,11H2,1-3H3;4-7,10,12-13,22H,3,8-9,11H2,1-2H3;2-5,8,10-11,24H,6-7,9H2,1H3;3-6,9,11,13,21H,7-8,10H2,1-2H3;3-8H,2H2,1H3,(H,20,21);1-7H,(H,18,19)/t14-;13-;11-;13-;;/m0000../s1
InChIKeyARUWIWYZJDVZIF-TUVVUPNWSA-N
XLogP15.92
TPSA385.10 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002052.16
LogP ≤ 515.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of 8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone (CID 157210328) is 8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for 8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for 8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone is CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN[C@@H](C)C3)nc12.CCc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN[C@@H](C)C3)nc12.CCc1cc(-c2ccc(F)cc2)nn2cc(C(=O)O)nc12.C[C@H]1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CCN1.Cc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN[C@@H](C)C3)nc12.O=C(O)c1cn2nc(-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of 8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone?
The InChIKey is ARUWIWYZJDVZIF-TUVVUPNWSA-N. The full InChI is InChI=1S/C21H24FN5O.C20H22FN5O.C19H17F4N5O.C19H20FN5O.C15H12FN3O2.C13H8FN3O2/c1-13(2)17-10-18(15-4-6-16(22)7-5-15)25-27-12-19(24-20(17)27)21(28)26-9-8-23-14(3)11-26;1-3-14-10-17(15-4-6-16(21)7-5-15)24-26-12-18(23-19(14)26)20(27)25-9-8-22-13(2)11-25;1-11-9-27(7-6-24-11)18(29)16-10-28-17(25-16)14(19(21,22)23)8-15(26-28)12-2-4-13(20)5-3-12;1-12-9-16(14-3-5-15(20)6-4-14)23-25-11-17(22-18(12)25)19(26)24-8-7-21-13(2)10-24;1-2-9-7-12(10-3-5-11(16)6-4-10)18-19-8-13(15(20)21)17-14(9)19;14-9-3-1-8(2-4-9)10-5-6-12-15-11(13(18)19)7-17(12)16-10/h4-7,10,12-14,23H,8-9,11H2,1-3H3;4-7,10,12-13,22H,3,8-9,11H2,1-2H3;2-5,8,10-11,24H,6-7,9H2,1H3;3-6,9,11,13,21H,7-8,10H2,1-2H3;3-8H,2H2,1H3,(H,20,21);1-7H,(H,18,19)/t14-;13-;11-;13-;;/m0000../s1.
What are the key properties of 8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone?
8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone has a molecular weight of 2052.16 g/mol, XLogP of 15.92, 15 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 157210328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).