2-(4-fluorooxan-4-yl)-4-[[6-methoxy-2-[6-[[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole

C50H40FN9O7S2 — CID 146506590

About 2-(4-fluorooxan-4-yl)-4-[[6-methoxy-2-[6-[[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole

2-(4-fluorooxan-4-yl)-4-[[6-methoxy-2-[6-[[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole (PubChem CID 146506590) has the molecular formula C50H40FN9O7S2 and a molecular weight of 962.06 g/mol. Its IUPAC name is 2-(4-fluorooxan-4-yl)-4-[[6-methoxy-2-[6-[[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-(4-fluorooxan-4-yl)-4-[[6-methoxy-2-[6-[[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole
• PubChem CID: 146506590
• Molecular Formula: C50H40FN9O7S2
• Molecular Weight: 962.06 g/mol
• Exact Mass: 961.25
• IUPAC Name: 2-(4-fluorooxan-4-yl)-4-[[6-methoxy-2-[6-[[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole
• SMILES: COc1cc(OCc2csc(-c3ccncc3Cc3ccc4nc(-c5cc6c(OCc7csc(C8(F)CCOCC8)n7)cc(OC)cc6o5)cn4n3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1
• InChI: InChI=1S/C50H40FN9O7S2/c1-28-4-6-46-55-38(22-59(46)57-28)44-19-36-40(15-33(61-2)17-42(36)66-44)64-24-31-26-68-48(53-31)35-8-11-52-21-29(35)14-30-5-7-47-56-39(23-60(47)58-30)45-20-37-41(16-34(62-3)18-43(37)67-45)65-25-32-27-69-49(54-32)50(51)9-12-63-13-10-50/h4-8,11,15-23,26-27H,9-10,12-14,24-25H2,1-3H3
• InChIKey: UOLPWQODWPSCCR-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 171.48 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	962.06
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of 2-(4-fluorooxan-4-yl)-4-[[6-methoxy-2-[6-[[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole (CID 146506590) is 2-(4-fluorooxan-4-yl)-4-[[6-methoxy-2-[6-[[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole.

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

The canonical SMILES for 2-(4-fluorooxan-4-yl)-4-[[6-methoxy-2-[6-[[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole is COc1cc(OCc2csc(-c3ccncc3Cc3ccc4nc(-c5cc6c(OCc7csc(C8(F)CCOCC8)n7)cc(OC)cc6o5)cn4n3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.

What is the InChIKey of 2-(4-fluorooxan-4-yl)-4-[[6-methoxy-2-[6-[[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole?

The InChIKey is UOLPWQODWPSCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40FN9O7S2/c1-28-4-6-46-55-38(22-59(46)57-28)44-19-36-40(15-33(61-2)17-42(36)66-44)64-24-31-26-68-48(53-31)35-8-11-52-21-29(35)14-30-5-7-47-56-39(23-60(47)58-30)45-20-37-41(16-34(62-3)18-43(37)67-45)65-25-32-27-69-49(54-32)50(51)9-12-63-13-10-50/h4-8,11,15-23,26-27H,9-10,12-14,24-25H2,1-3H3.

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

2-(4-fluorooxan-4-yl)-4-[[6-methoxy-2-[6-[[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole has a molecular weight of 962.06 g/mol, XLogP of 10.62, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorooxan-4-yl)-4-[[6-methoxy-2-[6-[[4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-3-pyridinyl]methyl]imidazo[1,2-b]pyridazin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole is sourced from PubChem (CID 146506590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).