4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;4-[6-(3-chloro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chloro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;methyl 2-[1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methyl-3-oxopiperazin-2-yl]acetate

C116H128Cl2F3N23O14 — CID 157210490

About 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;4-[6-(3-chloro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chloro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;methyl 2-[1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methyl-3-oxopiperazin-2-yl]acetate

4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;4-[6-(3-chloro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chloro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;methyl 2-[1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methyl-3-oxopiperazin-2-yl]acetate (PubChem CID 157210490) has the molecular formula C116H128Cl2F3N23O14 and a molecular weight of 2196.35 g/mol. Its IUPAC name is 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;4-[6-(3-chloro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chloro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;methyl 2-[1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methyl-3-oxopiperazin-2-yl]acetate.

Molecular Properties

• Compound Name: 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;4-[6-(3-chloro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chloro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;methyl 2-[1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methyl-3-oxopiperazin-2-yl]acetate
• PubChem CID: 157210490
• Molecular Formula: C116H128Cl2F3N23O14
• Molecular Weight: 2196.35 g/mol
• Exact Mass: 2193.93
• IUPAC Name: 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;4-[6-(3-chloro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chloro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;methyl 2-[1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methyl-3-oxopiperazin-2-yl]acetate
• SMILES: CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCOC(=O)C3(C)C)nc12.CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCOC(=O)C3(C)C)nc12.COC(=O)CC1(C)C(=O)NCCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(C(C)(C)C)c2n1.Cc1cc(-c2cc(C(C)C)c3nc(C(=O)N4CCNC(=O)C4(C)C)cn3n2)ccc1Cl.Cc1ccc(-c2cc(C(C)C)c3nc(C(=O)N4CCNC(=O)C4(C)C)cn3n2)cc1Cl
• InChI: InChI=1S/C25H28FN5O4.2C23H26ClN5O2.C23H25FN4O3.C22H23FN4O3/c1-24(2,3)17-12-18(15-6-8-16(26)9-7-15)29-31-14-19(28-21(17)31)22(33)30-11-10-27-23(34)25(30,4)13-20(32)35-5;1-13(2)16-11-18(15-6-7-17(24)14(3)10-15)27-29-12-19(26-20(16)29)21(30)28-9-8-25-22(31)23(28,4)5;1-13(2)16-11-18(15-7-6-14(3)17(24)10-15)27-29-12-19(26-20(16)29)21(30)28-9-8-25-22(31)23(28,4)5;1-22(2,3)16-12-17(14-6-8-15(24)9-7-14)26-28-13-18(25-19(16)28)20(29)27-10-11-31-21(30)23(27,4)5;1-13(2)16-11-17(14-5-7-15(23)8-6-14)25-27-12-18(24-19(16)27)20(28)26-9-10-30-21(29)22(26,3)4/h6-9,12,14H,10-11,13H2,1-5H3,(H,27,34);2*6-7,10-13H,8-9H2,1-5H3,(H,25,31);6-9,12-13H,10-11H2,1-5H3;5-8,11-13H,9-10H2,1-4H3
• InChIKey: ARVKAHUPPAMAPG-UHFFFAOYSA-N
• XLogP: 17.44
• TPSA: 418.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2196.35
LogP ≤ 5	17.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;4-[6-(3-chloro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chloro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;methyl 2-[1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methyl-3-oxopiperazin-2-yl]acetate?

The IUPAC name of 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;4-[6-(3-chloro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chloro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;methyl 2-[1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methyl-3-oxopiperazin-2-yl]acetate (CID 157210490) is 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;4-[6-(3-chloro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chloro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;methyl 2-[1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methyl-3-oxopiperazin-2-yl]acetate.

What is the SMILES notation for 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;4-[6-(3-chloro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chloro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;methyl 2-[1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methyl-3-oxopiperazin-2-yl]acetate?

The canonical SMILES for 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;4-[6-(3-chloro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chloro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;methyl 2-[1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methyl-3-oxopiperazin-2-yl]acetate is CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCOC(=O)C3(C)C)nc12.CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCOC(=O)C3(C)C)nc12.COC(=O)CC1(C)C(=O)NCCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(C(C)(C)C)c2n1.Cc1cc(-c2cc(C(C)C)c3nc(C(=O)N4CCNC(=O)C4(C)C)cn3n2)ccc1Cl.Cc1ccc(-c2cc(C(C)C)c3nc(C(=O)N4CCNC(=O)C4(C)C)cn3n2)cc1Cl.

What is the InChIKey of 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;4-[6-(3-chloro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chloro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;methyl 2-[1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methyl-3-oxopiperazin-2-yl]acetate?

The InChIKey is ARVKAHUPPAMAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O4.2C23H26ClN5O2.C23H25FN4O3.C22H23FN4O3/c1-24(2,3)17-12-18(15-6-8-16(26)9-7-15)29-31-14-19(28-21(17)31)22(33)30-11-10-27-23(34)25(30,4)13-20(32)35-5;1-13(2)16-11-18(15-6-7-17(24)14(3)10-15)27-29-12-19(26-20(16)29)21(30)28-9-8-25-22(31)23(28,4)5;1-13(2)16-11-18(15-7-6-14(3)17(24)10-15)27-29-12-19(26-20(16)29)21(30)28-9-8-25-22(31)23(28,4)5;1-22(2,3)16-12-17(14-6-8-15(24)9-7-14)26-28-13-18(25-19(16)28)20(29)27-10-11-31-21(30)23(27,4)5;1-13(2)16-11-17(14-5-7-15(23)8-6-14)25-27-12-18(24-19(16)27)20(28)26-9-10-30-21(29)22(26,3)4/h6-9,12,14H,10-11,13H2,1-5H3,(H,27,34);2*6-7,10-13H,8-9H2,1-5H3,(H,25,31);6-9,12-13H,10-11H2,1-5H3;5-8,11-13H,9-10H2,1-4H3.

What are the key properties of 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;4-[6-(3-chloro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chloro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;methyl 2-[1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methyl-3-oxopiperazin-2-yl]acetate?

4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;4-[6-(3-chloro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chloro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;methyl 2-[1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methyl-3-oxopiperazin-2-yl]acetate has a molecular weight of 2196.35 g/mol, XLogP of 17.44, 15 rotatable bonds, 3 hydrogen bond donors, and 29 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]-3,3-dimethylmorpholin-2-one;4-[6-(3-chloro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chloro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylmorpholin-2-one;methyl 2-[1-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methyl-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 157210490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).