[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone

C105H119Cl4F7N20O10 — CID 157170770

About [4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone

[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone (PubChem CID 157170770) has the molecular formula C105H119Cl4F7N20O10 and a molecular weight of 2096.03 g/mol. Its IUPAC name is [4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
• PubChem CID: 157170770
• Molecular Formula: C105H119Cl4F7N20O10
• Molecular Weight: 2096.03 g/mol
• Exact Mass: 2092.81
• IUPAC Name: [4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
• SMILES: CC(C)c1cc(-c2ccc(F)c(Cl)c2)nn2cc(C(=O)N3CCN(C(=O)C4CC(O)(C(F)(F)F)C4)CC3(C)C)nc12.CC(C)c1cc(-c2ccc(F)c(Cl)c2)nn2cc(C(=O)N3CCN(C(=O)C4CC(O)C4)CC3(C)C)nc12.CC(C)c1cc(-c2ccc(F)c(Cl)c2)nn2cc(C(=O)N3CCNCC3(C)C)nc12.COC1CC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)c(Cl)c5)cc(C(C)C)c4n3)C(C)(C)C2)C1
• InChI: InChI=1S/C28H30ClF4N5O3.C28H33ClFN5O3.C27H31ClFN5O3.C22H25ClFN5O/c1-15(2)18-10-21(16-5-6-20(30)19(29)9-16)35-38-13-22(34-23(18)38)25(40)37-8-7-36(14-26(37,3)4)24(39)17-11-27(41,12-17)28(31,32)33;1-16(2)20-13-23(17-6-7-22(30)21(29)12-17)32-35-14-24(31-25(20)35)27(37)34-9-8-33(15-28(34,3)4)26(36)18-10-19(11-18)38-5;1-15(2)19-12-22(16-5-6-21(29)20(28)11-16)31-34-13-23(30-24(19)34)26(37)33-8-7-32(14-27(33,3)4)25(36)17-9-18(35)10-17;1-13(2)15-10-18(14-5-6-17(24)16(23)9-14)27-29-11-19(26-20(15)29)21(30)28-8-7-25-12-22(28,3)4/h5-6,9-10,13,15,17,41H,7-8,11-12,14H2,1-4H3;6-7,12-14,16,18-19H,8-11,15H2,1-5H3;5-6,11-13,15,17-18,35H,7-10,14H2,1-4H3;5-6,9-11,13,25H,7-8,12H2,1-4H3
• InChIKey: ANLAKTIBQFVOBI-UHFFFAOYSA-N
• XLogP: 18.16
• TPSA: 324.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2096.03
LogP ≤ 5	18.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?

The IUPAC name of [4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone (CID 157170770) is [4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone.

What is the SMILES notation for [4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?

The canonical SMILES for [4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone is CC(C)c1cc(-c2ccc(F)c(Cl)c2)nn2cc(C(=O)N3CCN(C(=O)C4CC(O)(C(F)(F)F)C4)CC3(C)C)nc12.CC(C)c1cc(-c2ccc(F)c(Cl)c2)nn2cc(C(=O)N3CCN(C(=O)C4CC(O)C4)CC3(C)C)nc12.CC(C)c1cc(-c2ccc(F)c(Cl)c2)nn2cc(C(=O)N3CCNCC3(C)C)nc12.COC1CC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)c(Cl)c5)cc(C(C)C)c4n3)C(C)(C)C2)C1.

What is the InChIKey of [4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?

The InChIKey is ANLAKTIBQFVOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClF4N5O3.C28H33ClFN5O3.C27H31ClFN5O3.C22H25ClFN5O/c1-15(2)18-10-21(16-5-6-20(30)19(29)9-16)35-38-13-22(34-23(18)38)25(40)37-8-7-36(14-26(37,3)4)24(39)17-11-27(41,12-17)28(31,32)33;1-16(2)20-13-23(17-6-7-22(30)21(29)12-17)32-35-14-24(31-25(20)35)27(37)34-9-8-33(15-28(34,3)4)26(36)18-10-19(11-18)38-5;1-15(2)19-12-22(16-5-6-21(29)20(28)11-16)31-34-13-23(30-24(19)34)26(37)33-8-7-32(14-27(33,3)4)25(36)17-9-18(35)10-17;1-13(2)15-10-18(14-5-6-17(24)16(23)9-14)27-29-11-19(26-20(15)29)21(30)28-8-7-25-12-22(28,3)4/h5-6,9-10,13,15,17,41H,7-8,11-12,14H2,1-4H3;6-7,12-14,16,18-19H,8-11,15H2,1-5H3;5-6,11-13,15,17-18,35H,7-10,14H2,1-4H3;5-6,9-11,13,25H,7-8,12H2,1-4H3.

What are the key properties of [4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?

[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone has a molecular weight of 2096.03 g/mol, XLogP of 18.16, 16 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 157170770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).