3-[5-bromo-3-(methoxymethoxy)-2-pyridinyl]-6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazine;6-chloro-8-methyl-2-methylideneimidazo[1,2-b]pyridazin-4-ium;5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(methoxymethoxy)-3-pyridinyl]-2,8-dimethylimidazo[1,2-b]pyridazine

C82H97BrClF3N21O8+ — CID 165061715

About 3-[5-bromo-3-(methoxymethoxy)-2-pyridinyl]-6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazine;6-chloro-8-methyl-2-methylideneimidazo[1,2-b]pyridazin-4-ium;5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(methoxymethoxy)-3-pyridinyl]-2,8-dimethylimidazo[1,2-b]pyridazine

3-[5-bromo-3-(methoxymethoxy)-2-pyridinyl]-6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazine;6-chloro-8-methyl-2-methylideneimidazo[1,2-b]pyridazin-4-ium;5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(methoxymethoxy)-3-pyridinyl]-2,8-dimethylimidazo[1,2-b]pyridazine (PubChem CID 165061715) has the molecular formula C82H97BrClF3N21O8+ and a molecular weight of 1677.17 g/mol. Its IUPAC name is 3-[5-bromo-3-(methoxymethoxy)-2-pyridinyl]-6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazine;6-chloro-8-methyl-2-methylideneimidazo[1,2-b]pyridazin-4-ium;5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(methoxymethoxy)-3-pyridinyl]-2,8-dimethylimidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 3-[5-bromo-3-(methoxymethoxy)-2-pyridinyl]-6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazine;6-chloro-8-methyl-2-methylideneimidazo[1,2-b]pyridazin-4-ium;5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(methoxymethoxy)-3-pyridinyl]-2,8-dimethylimidazo[1,2-b]pyridazine
• PubChem CID: 165061715
• Molecular Formula: C82H97BrClF3N21O8+
• Molecular Weight: 1677.17 g/mol
• Exact Mass: 1674.66
• IUPAC Name: 3-[5-bromo-3-(methoxymethoxy)-2-pyridinyl]-6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazine;6-chloro-8-methyl-2-methylideneimidazo[1,2-b]pyridazin-4-ium;5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(methoxymethoxy)-3-pyridinyl]-2,8-dimethylimidazo[1,2-b]pyridazine
• SMILES: C=C1C=[n+]2nc(Cl)cc(C)c2=N1.COCOc1cc(-c2cc(C)c3nc(C)cn3n2)cnc1-c1ccc(O[C@H]2CC(C)(C)NC(C)(C)[C@H]2F)nn1.COCOc1cc(Br)cnc1-c1ccc(O[C@H]2CC(C)(C)NC(C)(C)[C@H]2F)nn1.Cc1cn2nc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C)c2n1
• InChI: InChI=1S/C28H34FN7O3.C26H30FN7O2.C20H26BrFN4O3.C8H7ClN3/c1-16-10-20(34-36-14-17(2)31-26(16)36)18-11-21(38-15-37-7)24(30-13-18)19-8-9-23(33-32-19)39-22-12-27(3,4)35-28(5,6)25(22)29;1-14-9-18(32-34-13-15(2)29-24(14)34)16-10-19(35)22(28-12-16)17-7-8-21(31-30-17)36-20-11-25(3,4)33-26(5,6)23(20)27;1-19(2)9-15(18(22)20(3,4)26-19)29-16-7-6-13(24-25-16)17-14(28-11-27-5)8-12(21)10-23-17;1-5-3-7(9)11-12-4-6(2)10-8(5)12/h8-11,13-14,22,25,35H,12,15H2,1-7H3;7-10,12-13,20,23,33,35H,11H2,1-6H3;6-8,10,15,18,26H,9,11H2,1-5H3;3-4H,2H2,1H3/q;;;+1/t22-,25-;20-,23-;15-,18-;/m000./s1
• InChIKey: RHVQZRHMTFSEOW-WYISRZARSA-N
• XLogP: 13.10
• TPSA: 328.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1677.17
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-3-(methoxymethoxy)-2-pyridinyl]-6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazine;6-chloro-8-methyl-2-methylideneimidazo[1,2-b]pyridazin-4-ium;5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(methoxymethoxy)-3-pyridinyl]-2,8-dimethylimidazo[1,2-b]pyridazine?

The IUPAC name of 3-[5-bromo-3-(methoxymethoxy)-2-pyridinyl]-6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazine;6-chloro-8-methyl-2-methylideneimidazo[1,2-b]pyridazin-4-ium;5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(methoxymethoxy)-3-pyridinyl]-2,8-dimethylimidazo[1,2-b]pyridazine (CID 165061715) is 3-[5-bromo-3-(methoxymethoxy)-2-pyridinyl]-6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazine;6-chloro-8-methyl-2-methylideneimidazo[1,2-b]pyridazin-4-ium;5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(methoxymethoxy)-3-pyridinyl]-2,8-dimethylimidazo[1,2-b]pyridazine.

What is the SMILES notation for 3-[5-bromo-3-(methoxymethoxy)-2-pyridinyl]-6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazine;6-chloro-8-methyl-2-methylideneimidazo[1,2-b]pyridazin-4-ium;5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(methoxymethoxy)-3-pyridinyl]-2,8-dimethylimidazo[1,2-b]pyridazine?

The canonical SMILES for 3-[5-bromo-3-(methoxymethoxy)-2-pyridinyl]-6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazine;6-chloro-8-methyl-2-methylideneimidazo[1,2-b]pyridazin-4-ium;5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(methoxymethoxy)-3-pyridinyl]-2,8-dimethylimidazo[1,2-b]pyridazine is C=C1C=[n+]2nc(Cl)cc(C)c2=N1.COCOc1cc(-c2cc(C)c3nc(C)cn3n2)cnc1-c1ccc(O[C@H]2CC(C)(C)NC(C)(C)[C@H]2F)nn1.COCOc1cc(Br)cnc1-c1ccc(O[C@H]2CC(C)(C)NC(C)(C)[C@H]2F)nn1.Cc1cn2nc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C)c2n1.

What is the InChIKey of 3-[5-bromo-3-(methoxymethoxy)-2-pyridinyl]-6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazine;6-chloro-8-methyl-2-methylideneimidazo[1,2-b]pyridazin-4-ium;5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(methoxymethoxy)-3-pyridinyl]-2,8-dimethylimidazo[1,2-b]pyridazine?

The InChIKey is RHVQZRHMTFSEOW-WYISRZARSA-N. The full InChI is InChI=1S/C28H34FN7O3.C26H30FN7O2.C20H26BrFN4O3.C8H7ClN3/c1-16-10-20(34-36-14-17(2)31-26(16)36)18-11-21(38-15-37-7)24(30-13-18)19-8-9-23(33-32-19)39-22-12-27(3,4)35-28(5,6)25(22)29;1-14-9-18(32-34-13-15(2)29-24(14)34)16-10-19(35)22(28-12-16)17-7-8-21(31-30-17)36-20-11-25(3,4)33-26(5,6)23(20)27;1-19(2)9-15(18(22)20(3,4)26-19)29-16-7-6-13(24-25-16)17-14(28-11-27-5)8-12(21)10-23-17;1-5-3-7(9)11-12-4-6(2)10-8(5)12/h8-11,13-14,22,25,35H,12,15H2,1-7H3;7-10,12-13,20,23,33,35H,11H2,1-6H3;6-8,10,15,18,26H,9,11H2,1-5H3;3-4H,2H2,1H3/q;;;+1/t22-,25-;20-,23-;15-,18-;/m000./s1.

What are the key properties of 3-[5-bromo-3-(methoxymethoxy)-2-pyridinyl]-6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazine;6-chloro-8-methyl-2-methylideneimidazo[1,2-b]pyridazin-4-ium;5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(methoxymethoxy)-3-pyridinyl]-2,8-dimethylimidazo[1,2-b]pyridazine?

3-[5-bromo-3-(methoxymethoxy)-2-pyridinyl]-6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazine;6-chloro-8-methyl-2-methylideneimidazo[1,2-b]pyridazin-4-ium;5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(methoxymethoxy)-3-pyridinyl]-2,8-dimethylimidazo[1,2-b]pyridazine has a molecular weight of 1677.17 g/mol, XLogP of 13.10, 17 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-bromo-3-(methoxymethoxy)-2-pyridinyl]-6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazine;6-chloro-8-methyl-2-methylideneimidazo[1,2-b]pyridazin-4-ium;5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(methoxymethoxy)-3-pyridinyl]-2,8-dimethylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 165061715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).