[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;methyl 3-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclobutane-1-carboxylate

C84H97Cl3F3N15O10 — CID 159434108

About [4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;methyl 3-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclobutane-1-carboxylate

[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;methyl 3-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclobutane-1-carboxylate (PubChem CID 159434108) has the molecular formula C84H97Cl3F3N15O10 and a molecular weight of 1640.15 g/mol. Its IUPAC name is [4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;methyl 3-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclobutane-1-carboxylate.

Molecular Properties

• Compound Name: [4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;methyl 3-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclobutane-1-carboxylate
• PubChem CID: 159434108
• Molecular Formula: C84H97Cl3F3N15O10
• Molecular Weight: 1640.15 g/mol
• Exact Mass: 1637.66
• IUPAC Name: [4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;methyl 3-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclobutane-1-carboxylate
• SMILES: CC(C)c1cc(-c2ccc(Cl)cc2)nn2cc(C(=O)N3CCN(C(=O)C4CC(O)(C(F)(F)F)C4)CC3(C)C)nc12.CC(C)c1cc(-c2ccc(Cl)cc2)nn2cc(C(=O)N3CCN(C(=O)C4CC(O)C4)CC3(C)C)nc12.COC(=O)C1CC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(Cl)cc5)cc(C(C)C)c4n3)C(C)(C)C2)C1
• InChI: InChI=1S/C29H34ClN5O4.C28H31ClF3N5O3.C27H32ClN5O3/c1-17(2)22-14-23(18-6-8-21(30)9-7-18)32-35-15-24(31-25(22)35)27(37)34-11-10-33(16-29(34,3)4)26(36)19-12-20(13-19)28(38)39-5;1-16(2)20-11-21(17-5-7-19(29)8-6-17)34-37-14-22(33-23(20)37)25(39)36-10-9-35(15-26(36,3)4)24(38)18-12-27(40,13-18)28(30,31)32;1-16(2)21-13-22(17-5-7-19(28)8-6-17)30-33-14-23(29-24(21)33)26(36)32-10-9-31(15-27(32,3)4)25(35)18-11-20(34)12-18/h6-9,14-15,17,19-20H,10-13,16H2,1-5H3;5-8,11,14,16,18,40H,9-10,12-13,15H2,1-4H3;5-8,13-14,16,18,20,34H,9-12,15H2,1-4H3
• InChIKey: LRIUVADJLGFBDW-UHFFFAOYSA-N
• XLogP: 13.38
• TPSA: 279.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1640.15
LogP ≤ 5	13.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;methyl 3-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclobutane-1-carboxylate?

The IUPAC name of [4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;methyl 3-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclobutane-1-carboxylate (CID 159434108) is [4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;methyl 3-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclobutane-1-carboxylate.

What is the SMILES notation for [4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;methyl 3-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclobutane-1-carboxylate?

The canonical SMILES for [4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;methyl 3-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclobutane-1-carboxylate is CC(C)c1cc(-c2ccc(Cl)cc2)nn2cc(C(=O)N3CCN(C(=O)C4CC(O)(C(F)(F)F)C4)CC3(C)C)nc12.CC(C)c1cc(-c2ccc(Cl)cc2)nn2cc(C(=O)N3CCN(C(=O)C4CC(O)C4)CC3(C)C)nc12.COC(=O)C1CC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(Cl)cc5)cc(C(C)C)c4n3)C(C)(C)C2)C1.

What is the InChIKey of [4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;methyl 3-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclobutane-1-carboxylate?

The InChIKey is LRIUVADJLGFBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN5O4.C28H31ClF3N5O3.C27H32ClN5O3/c1-17(2)22-14-23(18-6-8-21(30)9-7-18)32-35-15-24(31-25(22)35)27(37)34-11-10-33(16-29(34,3)4)26(36)19-12-20(13-19)28(38)39-5;1-16(2)20-11-21(17-5-7-19(29)8-6-17)34-37-14-22(33-23(20)37)25(39)36-10-9-35(15-26(36,3)4)24(38)18-12-27(40,13-18)28(30,31)32;1-16(2)21-13-22(17-5-7-19(28)8-6-17)30-33-14-23(29-24(21)33)26(36)32-10-9-31(15-27(32,3)4)25(35)18-11-20(34)12-18/h6-9,14-15,17,19-20H,10-13,16H2,1-5H3;5-8,11,14,16,18,40H,9-10,12-13,15H2,1-4H3;5-8,13-14,16,18,20,34H,9-12,15H2,1-4H3.

What are the key properties of [4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;methyl 3-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclobutane-1-carboxylate?

[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;methyl 3-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclobutane-1-carboxylate has a molecular weight of 1640.15 g/mol, XLogP of 13.38, 13 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;methyl 3-[4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 159434108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).