[6-(3-bromo-4-fluorophenyl)-8-tert-butylimidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;4-[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;methyl 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate

C112H135BrClF5N22O13 — CID 158548631

About [6-(3-bromo-4-fluorophenyl)-8-tert-butylimidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;4-[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;methyl 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate

[6-(3-bromo-4-fluorophenyl)-8-tert-butylimidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;4-[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;methyl 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate (PubChem CID 158548631) has the molecular formula C112H135BrClF5N22O13 and a molecular weight of 2207.80 g/mol. Its IUPAC name is [6-(3-bromo-4-fluorophenyl)-8-tert-butylimidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;4-[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;methyl 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate.

Molecular Properties

• Compound Name: [6-(3-bromo-4-fluorophenyl)-8-tert-butylimidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;4-[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;methyl 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate
• PubChem CID: 158548631
• Molecular Formula: C112H135BrClF5N22O13
• Molecular Weight: 2207.80 g/mol
• Exact Mass: 2204.94
• IUPAC Name: [6-(3-bromo-4-fluorophenyl)-8-tert-butylimidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;4-[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;methyl 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate
• SMILES: CC(C)(C)c1cc(C2CCC(F)(F)CC2)nn2cc(C(=O)N3CCN(C(=O)C4CCC(C(=O)O)CC4)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.CC1=NC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)c(Br)c5)cc(C(C)(C)C)c4n3)C(C)(C)C2)=NC1.COC(=O)CN1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1=O
• InChI: InChI=1S/C31H43F2N5O4.C28H31BrFN7O2.C27H31ClFN5O3.C26H30FN5O4/c1-29(2,3)22-16-23(19-10-12-31(32,33)13-11-19)35-38-17-24(34-25(22)38)27(40)37-15-14-36(18-30(37,4)5)26(39)20-6-8-21(9-7-20)28(41)42;1-16-13-31-23(32-16)26(39)35-9-10-36(28(5,6)15-35)25(38)22-14-37-24(33-22)18(27(2,3)4)12-21(34-37)17-7-8-20(30)19(29)11-17;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;1-25(2,3)18-13-19(16-7-9-17(27)10-8-16)29-32-14-20(28-22(18)32)23(34)31-12-11-30(15-21(33)36-6)24(35)26(31,4)5/h16-17,19-21H,6-15,18H2,1-5H3,(H,41,42);7-8,11-12,14H,9-10,13,15H2,1-6H3;5-6,11-13,15,17-18,35H,7-10,14H2,1-4H3;7-10,13-14H,11-12,15H2,1-6H3
• InChIKey: HPLBSTUAPSSRMR-UHFFFAOYSA-N
• XLogP: 17.02
• TPSA: 391.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2207.80
LogP ≤ 5	17.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of [6-(3-bromo-4-fluorophenyl)-8-tert-butylimidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;4-[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;methyl 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate?

The IUPAC name of [6-(3-bromo-4-fluorophenyl)-8-tert-butylimidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;4-[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;methyl 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate (CID 158548631) is [6-(3-bromo-4-fluorophenyl)-8-tert-butylimidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;4-[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;methyl 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate.

What is the SMILES notation for [6-(3-bromo-4-fluorophenyl)-8-tert-butylimidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;4-[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;methyl 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate?

The canonical SMILES for [6-(3-bromo-4-fluorophenyl)-8-tert-butylimidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;4-[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;methyl 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate is CC(C)(C)c1cc(C2CCC(F)(F)CC2)nn2cc(C(=O)N3CCN(C(=O)C4CCC(C(=O)O)CC4)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.CC1=NC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)c(Br)c5)cc(C(C)(C)C)c4n3)C(C)(C)C2)=NC1.COC(=O)CN1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1=O.

What is the InChIKey of [6-(3-bromo-4-fluorophenyl)-8-tert-butylimidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;4-[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;methyl 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate?

The InChIKey is HPLBSTUAPSSRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43F2N5O4.C28H31BrFN7O2.C27H31ClFN5O3.C26H30FN5O4/c1-29(2,3)22-16-23(19-10-12-31(32,33)13-11-19)35-38-17-24(34-25(22)38)27(40)37-15-14-36(18-30(37,4)5)26(39)20-6-8-21(9-7-20)28(41)42;1-16-13-31-23(32-16)26(39)35-9-10-36(28(5,6)15-35)25(38)22-14-37-24(33-22)18(27(2,3)4)12-21(34-37)17-7-8-20(30)19(29)11-17;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;1-25(2,3)18-13-19(16-7-9-17(27)10-8-16)29-32-14-20(28-22(18)32)23(34)31-12-11-30(15-21(33)36-6)24(35)26(31,4)5/h16-17,19-21H,6-15,18H2,1-5H3,(H,41,42);7-8,11-12,14H,9-10,13,15H2,1-6H3;5-6,11-13,15,17-18,35H,7-10,14H2,1-4H3;7-10,13-14H,11-12,15H2,1-6H3.

What are the key properties of [6-(3-bromo-4-fluorophenyl)-8-tert-butylimidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;4-[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;methyl 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate?

[6-(3-bromo-4-fluorophenyl)-8-tert-butylimidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;4-[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;methyl 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate has a molecular weight of 2207.80 g/mol, XLogP of 17.02, 15 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3-bromo-4-fluorophenyl)-8-tert-butylimidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;4-[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;methyl 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate is sourced from PubChem (CID 158548631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).