3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid

C115H140F4N20O14 — CID 158885776

About 3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid

3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 158885776) has the molecular formula C115H140F4N20O14 and a molecular weight of 2102.50 g/mol. Its IUPAC name is 3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

• Compound Name: 3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
• PubChem CID: 158885776
• Molecular Formula: C115H140F4N20O14
• Molecular Weight: 2102.50 g/mol
• Exact Mass: 2101.08
• IUPAC Name: 3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
• SMILES: CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)C4(C(=O)O)CC4)CC3(C)C)nc12.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CN(C(C)(C)C)C(=O)C3(C)C)nc12.CC(C)(CC(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1)C(=O)O.CC1(C(=O)O)CCC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2)CC1
• InChI: InChI=1S/C32H40FN5O4.C29H36FN5O4.C28H32FN5O4.C26H32FN5O2/c1-30(2,3)23-17-24(20-7-9-22(33)10-8-20)35-38-18-25(34-26(23)38)28(40)37-16-15-36(19-31(37,4)5)27(39)21-11-13-32(6,14-12-21)29(41)42;1-27(2,3)20-14-21(18-8-10-19(30)11-9-18)32-35-16-22(31-24(20)35)25(37)34-13-12-33(17-29(34,6)7)23(36)15-28(4,5)26(38)39;1-26(2,3)19-14-20(17-6-8-18(29)9-7-17)31-34-15-21(30-22(19)34)23(35)33-13-12-32(16-27(33,4)5)24(36)28(10-11-28)25(37)38;1-24(2,3)18-13-19(16-9-11-17(27)12-10-16)29-32-14-20(28-21(18)32)22(33)30-15-31(25(4,5)6)23(34)26(30,7)8/h7-10,17-18,21H,11-16,19H2,1-6H3,(H,41,42);8-11,14,16H,12-13,15,17H2,1-7H3,(H,38,39);6-9,14-15H,10-13,16H2,1-5H3,(H,37,38);9-14H,15H2,1-8H3
• InChIKey: JDPOAWGSHSAUNI-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 395.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2102.50
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid?

The IUPAC name of 3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid (CID 158885776) is 3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid.

What is the SMILES notation for 3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid?

The canonical SMILES for 3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid is CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)C4(C(=O)O)CC4)CC3(C)C)nc12.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CN(C(C)(C)C)C(=O)C3(C)C)nc12.CC(C)(CC(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1)C(=O)O.CC1(C(=O)O)CCC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2)CC1.

What is the InChIKey of 3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid?

The InChIKey is JDPOAWGSHSAUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40FN5O4.C29H36FN5O4.C28H32FN5O4.C26H32FN5O2/c1-30(2,3)23-17-24(20-7-9-22(33)10-8-20)35-38-18-25(34-26(23)38)28(40)37-16-15-36(19-31(37,4)5)27(39)21-11-13-32(6,14-12-21)29(41)42;1-27(2,3)20-14-21(18-8-10-19(30)11-9-18)32-35-16-22(31-24(20)35)25(37)34-13-12-33(17-29(34,6)7)23(36)15-28(4,5)26(38)39;1-26(2,3)19-14-20(17-6-8-18(29)9-7-17)31-34-15-21(30-22(19)34)23(35)33-13-12-32(16-27(33,4)5)24(36)28(10-11-28)25(37)38;1-24(2,3)18-13-19(16-9-11-17(27)12-10-16)29-32-14-20(28-21(18)32)22(33)30-15-31(25(4,5)6)23(34)26(30,7)8/h7-10,17-18,21H,11-16,19H2,1-6H3,(H,41,42);8-11,14,16H,12-13,15,17H2,1-7H3,(H,38,39);6-9,14-15H,10-13,16H2,1-5H3,(H,37,38);9-14H,15H2,1-8H3.

What are the key properties of 3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid?

3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 2102.50 g/mol, XLogP of 17.99, 15 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 158885776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).