4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one

C136H155F8N27O14 — CID 159622332

About 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one

4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one (PubChem CID 159622332) has the molecular formula C136H155F8N27O14 and a molecular weight of 2543.89 g/mol. Its IUPAC name is 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one.

Molecular Properties

• Compound Name: 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one
• PubChem CID: 159622332
• Molecular Formula: C136H155F8N27O14
• Molecular Weight: 2543.89 g/mol
• Exact Mass: 2542.21
• IUPAC Name: 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one
• SMILES: C=C(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C)C(=O)C3(C)C)nc12.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C4COC4)C(=O)C3(C)C)nc12.CCN1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1=O.C[C@@H]1CC(c2cc(-c3ccc(F)cc3)nn3cc(C(=O)N4CCN(C(=O)C5CC(O)(C(F)(F)F)C5)CC4(C)C)nc23)C[C@H](C)O1.C[C@@H]1CC(c2cc(-c3ccc(F)cc3)nn3cc(C(=O)N4CCN(C(=O)c5ccn[nH]5)CC4(C)C)nc23)C[C@H](C)O1
• InChI: InChI=1S/C32H37F4N5O4.C30H34FN7O3.C26H30FN5O3.C25H30FN5O2.C23H24FN5O2/c1-18-11-21(12-19(2)45-18)24-13-25(20-5-7-23(33)8-6-20)38-41-16-26(37-27(24)41)29(43)40-10-9-39(17-30(40,3)4)28(42)22-14-31(44,15-22)32(34,35)36;1-18-13-21(14-19(2)41-18)23-15-25(20-5-7-22(31)8-6-20)35-38-16-26(33-27(23)38)29(40)37-12-11-36(17-30(37,3)4)28(39)24-9-10-32-34-24;1-25(2,3)19-12-20(16-6-8-17(27)9-7-16)29-32-13-21(28-22(19)32)23(33)31-11-10-30(18-14-35-15-18)24(34)26(31,4)5;1-7-29-12-13-30(25(5,6)23(29)33)22(32)20-15-31-21(27-20)18(24(2,3)4)14-19(28-31)16-8-10-17(26)11-9-16;1-14(2)17-12-18(15-6-8-16(24)9-7-15)26-29-13-19(25-20(17)29)21(30)28-11-10-27(5)22(31)23(28,3)4/h5-8,13,16,18-19,21-22,44H,9-12,14-15,17H2,1-4H3;5-10,15-16,18-19,21H,11-14,17H2,1-4H3,(H,32,34);6-9,12-13,18H,10-11,14-15H2,1-5H3;8-11,14-15H,7,12-13H2,1-6H3;6-9,12-13H,1,10-11H2,2-5H3/t18-,19+,21?,22?,31?;18-,19+,21?
• InChIKey: MOAXARYNAHBTCZ-XSYZMAOUSA-N
• XLogP: 19.75
• TPSA: 430.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2543.89
LogP ≤ 5	19.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one?

The IUPAC name of 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one (CID 159622332) is 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one.

What is the SMILES notation for 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one?

The canonical SMILES for 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one is C=C(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C)C(=O)C3(C)C)nc12.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C4COC4)C(=O)C3(C)C)nc12.CCN1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1=O.C[C@@H]1CC(c2cc(-c3ccc(F)cc3)nn3cc(C(=O)N4CCN(C(=O)C5CC(O)(C(F)(F)F)C5)CC4(C)C)nc23)C[C@H](C)O1.C[C@@H]1CC(c2cc(-c3ccc(F)cc3)nn3cc(C(=O)N4CCN(C(=O)c5ccn[nH]5)CC4(C)C)nc23)C[C@H](C)O1.

What is the InChIKey of 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one?

The InChIKey is MOAXARYNAHBTCZ-XSYZMAOUSA-N. The full InChI is InChI=1S/C32H37F4N5O4.C30H34FN7O3.C26H30FN5O3.C25H30FN5O2.C23H24FN5O2/c1-18-11-21(12-19(2)45-18)24-13-25(20-5-7-23(33)8-6-20)38-41-16-26(37-27(24)41)29(43)40-10-9-39(17-30(40,3)4)28(42)22-14-31(44,15-22)32(34,35)36;1-18-13-21(14-19(2)41-18)23-15-25(20-5-7-22(31)8-6-20)35-38-16-26(33-27(23)38)29(40)37-12-11-36(17-30(37,3)4)28(39)24-9-10-32-34-24;1-25(2,3)19-12-20(16-6-8-17(27)9-7-16)29-32-13-21(28-22(19)32)23(33)31-11-10-30(18-14-35-15-18)24(34)26(31,4)5;1-7-29-12-13-30(25(5,6)23(29)33)22(32)20-15-31-21(27-20)18(24(2,3)4)14-19(28-31)16-8-10-17(26)11-9-16;1-14(2)17-12-18(15-6-8-16(24)9-7-15)26-29-13-19(25-20(17)29)21(30)28-11-10-27(5)22(31)23(28,3)4/h5-8,13,16,18-19,21-22,44H,9-12,14-15,17H2,1-4H3;5-10,15-16,18-19,21H,11-14,17H2,1-4H3,(H,32,34);6-9,12-13,18H,10-11,14-15H2,1-5H3;8-11,14-15H,7,12-13H2,1-6H3;6-9,12-13H,1,10-11H2,2-5H3/t18-,19+,21?,22?,31?;18-,19+,21?;;;.

What are the key properties of 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one?

4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one has a molecular weight of 2543.89 g/mol, XLogP of 19.75, 17 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one is sourced from PubChem (CID 159622332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).