4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-cyclopropyl-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-propan-2-ylpiperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;[4-[6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone

C105H123F7N20O9 — CID 157384753

About 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-cyclopropyl-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-propan-2-ylpiperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;[4-[6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone

4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-cyclopropyl-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-propan-2-ylpiperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;[4-[6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone (PubChem CID 157384753) has the molecular formula C105H123F7N20O9 and a molecular weight of 1942.26 g/mol. Its IUPAC name is 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-cyclopropyl-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-propan-2-ylpiperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;[4-[6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone.

Molecular Properties

• Compound Name: 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-cyclopropyl-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-propan-2-ylpiperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;[4-[6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone
• PubChem CID: 157384753
• Molecular Formula: C105H123F7N20O9
• Molecular Weight: 1942.26 g/mol
• Exact Mass: 1940.97
• IUPAC Name: 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-cyclopropyl-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-propan-2-ylpiperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;[4-[6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone
• SMILES: CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C4CC4)C(=O)C3(C)C)nc12.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCNCC3(C)C)nc12.CC(C)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1=O.CC1(C)CN(C(=O)C2CC(O)(C(F)(F)F)C2)CCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(C3CCOCC3)c2n1
• InChI: InChI=1S/C30H33F4N5O4.C26H30FN5O2.C26H32FN5O2.C23H28FN5O/c1-28(2)17-37(26(40)20-14-29(42,15-20)30(32,33)34)9-10-38(28)27(41)24-16-39-25(35-24)22(18-7-11-43-12-8-18)13-23(36-39)19-3-5-21(31)6-4-19;1-25(2,3)19-14-20(16-6-8-17(27)9-7-16)29-32-15-21(28-22(19)32)23(33)31-13-12-30(18-10-11-18)24(34)26(31,4)5;1-16(2)30-12-13-31(26(6,7)24(30)34)23(33)21-15-32-22(28-21)19(25(3,4)5)14-20(29-32)17-8-10-18(27)11-9-17;1-22(2,3)17-12-18(15-6-8-16(24)9-7-15)27-29-13-19(26-20(17)29)21(30)28-11-10-25-14-23(28,4)5/h3-6,13,16,18,20,42H,7-12,14-15,17H2,1-2H3;6-9,14-15,18H,10-13H2,1-5H3;8-11,14-16H,12-13H2,1-7H3;6-9,12-13,25H,10-11,14H2,1-5H3
• InChIKey: BLHLASDCZMNKGX-UHFFFAOYSA-N
• XLogP: 16.22
• TPSA: 304.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1942.26
LogP ≤ 5	16.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-cyclopropyl-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-propan-2-ylpiperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;[4-[6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone?

The IUPAC name of 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-cyclopropyl-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-propan-2-ylpiperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;[4-[6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone (CID 157384753) is 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-cyclopropyl-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-propan-2-ylpiperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;[4-[6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone.

What is the SMILES notation for 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-cyclopropyl-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-propan-2-ylpiperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;[4-[6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone?

The canonical SMILES for 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-cyclopropyl-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-propan-2-ylpiperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;[4-[6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone is CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C4CC4)C(=O)C3(C)C)nc12.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCNCC3(C)C)nc12.CC(C)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1=O.CC1(C)CN(C(=O)C2CC(O)(C(F)(F)F)C2)CCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(C3CCOCC3)c2n1.

What is the InChIKey of 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-cyclopropyl-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-propan-2-ylpiperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;[4-[6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone?

The InChIKey is BLHLASDCZMNKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F4N5O4.C26H30FN5O2.C26H32FN5O2.C23H28FN5O/c1-28(2)17-37(26(40)20-14-29(42,15-20)30(32,33)34)9-10-38(28)27(41)24-16-39-25(35-24)22(18-7-11-43-12-8-18)13-23(36-39)19-3-5-21(31)6-4-19;1-25(2,3)19-14-20(16-6-8-17(27)9-7-16)29-32-15-21(28-22(19)32)23(33)31-13-12-30(18-10-11-18)24(34)26(31,4)5;1-16(2)30-12-13-31(26(6,7)24(30)34)23(33)21-15-32-22(28-21)19(25(3,4)5)14-20(29-32)17-8-10-18(27)11-9-17;1-22(2,3)17-12-18(15-6-8-16(24)9-7-15)27-29-13-19(26-20(17)29)21(30)28-11-10-25-14-23(28,4)5/h3-6,13,16,18,20,42H,7-12,14-15,17H2,1-2H3;6-9,14-15,18H,10-13H2,1-5H3;8-11,14-16H,12-13H2,1-7H3;6-9,12-13,25H,10-11,14H2,1-5H3.

What are the key properties of 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-cyclopropyl-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-propan-2-ylpiperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;[4-[6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone?

4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-cyclopropyl-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-propan-2-ylpiperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;[4-[6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone has a molecular weight of 1942.26 g/mol, XLogP of 16.22, 12 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-cyclopropyl-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-propan-2-ylpiperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;[4-[6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone is sourced from PubChem (CID 157384753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).