3-benzyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;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]-4-oxobutanenitrile

C114H133F4N21O10 — CID 161384346

About 3-benzyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;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]-4-oxobutanenitrile

3-benzyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;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]-4-oxobutanenitrile (PubChem CID 161384346) has the molecular formula C114H133F4N21O10 and a molecular weight of 2033.45 g/mol. Its IUPAC name is 3-benzyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;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]-4-oxobutanenitrile.

Molecular Properties

• Compound Name: 3-benzyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;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]-4-oxobutanenitrile
• PubChem CID: 161384346
• Molecular Formula: C114H133F4N21O10
• Molecular Weight: 2033.45 g/mol
• Exact Mass: 2032.05
• IUPAC Name: 3-benzyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;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]-4-oxobutanenitrile
• SMILES: CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)CCC#N)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)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CN(Cc4ccccc4)C(=O)C3(C)C)nc12.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.C29H30FN5O2.C27H31FN6O2.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;1-28(2,3)22-15-23(20-11-13-21(30)14-12-20)32-35-17-24(31-25(22)35)26(36)34-18-33(27(37)29(34,4)5)16-19-9-7-6-8-10-19;1-26(2,3)20-15-21(18-8-10-19(28)11-9-18)31-34-16-22(30-24(20)34)25(36)33-14-13-32(17-27(33,4)5)23(35)7-6-12-29;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);6-15,17H,16,18H2,1-5H3;8-11,15-16H,6-7,13-14,17H2,1-5H3;9-14H,15H2,1-8H3
• InChIKey: VSDFESGGEFQYKC-UHFFFAOYSA-N
• XLogP: 19.08
• TPSA: 344.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2033.45
LogP ≤ 5	19.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;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]-4-oxobutanenitrile?

The IUPAC name of 3-benzyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;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]-4-oxobutanenitrile (CID 161384346) is 3-benzyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;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]-4-oxobutanenitrile.

What is the SMILES notation for 3-benzyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;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]-4-oxobutanenitrile?

The canonical SMILES for 3-benzyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;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]-4-oxobutanenitrile is CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)CCC#N)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)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CN(Cc4ccccc4)C(=O)C3(C)C)nc12.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-benzyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;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]-4-oxobutanenitrile?

The InChIKey is VSDFESGGEFQYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40FN5O4.C29H30FN5O2.C27H31FN6O2.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;1-28(2,3)22-15-23(20-11-13-21(30)14-12-20)32-35-17-24(31-25(22)35)26(36)34-18-33(27(37)29(34,4)5)16-19-9-7-6-8-10-19;1-26(2,3)20-15-21(18-8-10-19(28)11-9-18)31-34-16-22(30-24(20)34)25(36)33-14-13-32(17-27(33,4)5)23(35)7-6-12-29;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);6-15,17H,16,18H2,1-5H3;8-11,15-16H,6-7,13-14,17H2,1-5H3;9-14H,15H2,1-8H3.

What are the key properties of 3-benzyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;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]-4-oxobutanenitrile?

3-benzyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;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]-4-oxobutanenitrile has a molecular weight of 2033.45 g/mol, XLogP of 19.08, 14 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;3-tert-butyl-1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,5-dimethylimidazolidin-4-one;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]-4-oxobutanenitrile is sourced from PubChem (CID 161384346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).