4-[[6-methoxy-2-[6-[2-[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C52H43F3N10O6S2 — CID 146506587

About 4-[[6-methoxy-2-[6-[2-[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

4-[[6-methoxy-2-[6-[2-[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 146506587) has the molecular formula C52H43F3N10O6S2 and a molecular weight of 1025.11 g/mol. Its IUPAC name is 4-[[6-methoxy-2-[6-[2-[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 4-[[6-methoxy-2-[6-[2-[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
• PubChem CID: 146506587
• Molecular Formula: C52H43F3N10O6S2
• Molecular Weight: 1025.11 g/mol
• Exact Mass: 1024.28
• IUPAC Name: 4-[[6-methoxy-2-[6-[2-[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
• SMILES: COc1cc(OCc2csc(N3CCN(CCc4ccc5nc(-c6cc7c(OCc8csc(-c9ccc(C(F)(F)F)cc9)n8)cc(OC)cc7o6)cn5n4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1
• InChI: InChI=1S/C52H43F3N10O6S2/c1-30-4-10-48-58-40(24-64(48)60-30)46-22-39-43(19-37(67-3)21-45(39)70-46)69-27-35-29-73-51(57-35)63-16-14-62(15-17-63)13-12-33-9-11-49-59-41(25-65(49)61-33)47-23-38-42(18-36(66-2)20-44(38)71-47)68-26-34-28-72-50(56-34)31-5-7-32(8-6-31)52(53,54)55/h4-11,18-25,28-29H,12-17,26-27H2,1-3H3
• InChIKey: FDZDMCDRMWKEFN-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 155.84 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1025.11
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-[[6-methoxy-2-[6-[2-[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?

The IUPAC name of 4-[[6-methoxy-2-[6-[2-[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 146506587) is 4-[[6-methoxy-2-[6-[2-[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

What is the SMILES notation for 4-[[6-methoxy-2-[6-[2-[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?

The canonical SMILES for 4-[[6-methoxy-2-[6-[2-[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is COc1cc(OCc2csc(N3CCN(CCc4ccc5nc(-c6cc7c(OCc8csc(-c9ccc(C(F)(F)F)cc9)n8)cc(OC)cc7o6)cn5n4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.

What is the InChIKey of 4-[[6-methoxy-2-[6-[2-[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?

The InChIKey is FDZDMCDRMWKEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43F3N10O6S2/c1-30-4-10-48-58-40(24-64(48)60-30)46-22-39-43(19-37(67-3)21-45(39)70-46)69-27-35-29-73-51(57-35)63-16-14-62(15-17-63)13-12-33-9-11-49-59-41(25-65(49)61-33)47-23-38-42(18-36(66-2)20-44(38)71-47)68-26-34-28-72-50(56-34)31-5-7-32(8-6-31)52(53,54)55/h4-11,18-25,28-29H,12-17,26-27H2,1-3H3.

What are the key properties of 4-[[6-methoxy-2-[6-[2-[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?

4-[[6-methoxy-2-[6-[2-[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 1025.11 g/mol, XLogP of 11.05, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-methoxy-2-[6-[2-[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 146506587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).