1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-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-[(2S,6R)-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;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one

C116H138F8N22O13 — CID 159237288

About 1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-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-[(2S,6R)-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;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one

1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-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-[(2S,6R)-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;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 159237288) has the molecular formula C116H138F8N22O13 and a molecular weight of 2200.50 g/mol. Its IUPAC name is 1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-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-[(2S,6R)-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;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

• Compound Name: 1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-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-[(2S,6R)-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;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
• PubChem CID: 159237288
• Molecular Formula: C116H138F8N22O13
• Molecular Weight: 2200.50 g/mol
• Exact Mass: 2199.07
• IUPAC Name: 1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-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-[(2S,6R)-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;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
• SMILES: CC(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12.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.Cc1cccc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)C(C)(C)O)CC4(C)C)cn3n2)c1
• InChI: InChI=1S/C32H37F4N5O4.C30H34FN7O3.C27H32F3N5O3.C27H35N5O3/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;1-16(2)19-13-20(17-7-9-18(10-8-17)27(28,29)30)32-35-14-21(31-22(19)35)23(36)34-12-11-33(15-25(34,3)4)24(37)26(5,6)38;1-17(2)20-14-21(19-10-8-9-18(3)13-19)29-32-15-22(28-23(20)32)24(33)31-12-11-30(16-26(31,4)5)25(34)27(6,7)35/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);7-10,13-14,16,38H,11-12,15H2,1-6H3;8-10,13-15,17,35H,11-12,16H2,1-7H3/t18-,19+,21?,22?,31?;18-,19+,21?
• InChIKey: KTQGWDQBZKSRKI-FUAIKQSUSA-N
• XLogP: 17.31
• TPSA: 391.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2200.50
LogP ≤ 5	17.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-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-[(2S,6R)-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;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?

The IUPAC name of 1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-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-[(2S,6R)-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;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one (CID 159237288) is 1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-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-[(2S,6R)-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;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one.

What is the SMILES notation for 1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-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-[(2S,6R)-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;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?

The canonical SMILES for 1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-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-[(2S,6R)-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;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one is CC(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12.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.Cc1cccc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)C(C)(C)O)CC4(C)C)cn3n2)c1.

What is the InChIKey of 1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-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-[(2S,6R)-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;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?

The InChIKey is KTQGWDQBZKSRKI-FUAIKQSUSA-N. The full InChI is InChI=1S/C32H37F4N5O4.C30H34FN7O3.C27H32F3N5O3.C27H35N5O3/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;1-16(2)19-13-20(17-7-9-18(10-8-17)27(28,29)30)32-35-14-21(31-22(19)35)23(36)34-12-11-33(15-25(34,3)4)24(37)26(5,6)38;1-17(2)20-14-21(19-10-8-9-18(3)13-19)29-32-15-22(28-23(20)32)24(33)31-12-11-30(16-26(31,4)5)25(34)27(6,7)35/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);7-10,13-14,16,38H,11-12,15H2,1-6H3;8-10,13-15,17,35H,11-12,16H2,1-7H3/t18-,19+,21?,22?,31?;18-,19+,21?;;.

What are the key properties of 1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-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-[(2S,6R)-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;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?

1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-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-[(2S,6R)-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;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 2200.50 g/mol, XLogP of 17.31, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-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-[(2S,6R)-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;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 159237288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).