5-(3-acetylbenzene-4-id-1-yl)-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-bromo-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;1-(3-methylbenzene-6-id-1-yl)ethanone;bis(yttrium)

C47H33BrCl2F2N4O6Y2-2 — CID 158884596

About 5-(3-acetylbenzene-4-id-1-yl)-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-bromo-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;1-(3-methylbenzene-6-id-1-yl)ethanone;bis(yttrium)

5-(3-acetylbenzene-4-id-1-yl)-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-bromo-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;1-(3-methylbenzene-6-id-1-yl)ethanone;bis(yttrium) (PubChem CID 158884596) has the molecular formula C47H33BrCl2F2N4O6Y2-2 and a molecular weight of 1116.42 g/mol. Its IUPAC name is 5-(3-acetylbenzene-4-id-1-yl)-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-bromo-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;1-(3-methylbenzene-6-id-1-yl)ethanone;bis(yttrium).

Molecular Properties

• Compound Name: 5-(3-acetylbenzene-4-id-1-yl)-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-bromo-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;1-(3-methylbenzene-6-id-1-yl)ethanone;bis(yttrium)
• PubChem CID: 158884596
• Molecular Formula: C47H33BrCl2F2N4O6Y2-2
• Molecular Weight: 1116.42 g/mol
• Exact Mass: 1113.91
• IUPAC Name: 5-(3-acetylbenzene-4-id-1-yl)-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-bromo-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;1-(3-methylbenzene-6-id-1-yl)ethanone;bis(yttrium)
• SMILES: CC(=O)c1[c-]ccc(C)c1.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(Cl)c(-c3cc[c-]c(C(C)=O)c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(Cl)c(Br)cc12.[Y].[Y]
• InChI: InChI=1S/C23H15ClFN2O3.C15H9BrClFN2O2.C9H9O.2Y/c1-12(28)14-4-3-5-15(10-14)17-11-18-19(22(29)26-2)20(30-23(18)27-21(17)24)13-6-8-16(25)9-7-13;1-19-14(21)11-9-6-10(16)13(17)20-15(9)22-12(11)7-2-4-8(18)5-3-7;1-7-4-3-5-9(6-7)8(2)10;;/h3,5-11H,1-2H3,(H,26,29);2-6H,1H3,(H,19,21);3-4,6H,1-2H3;;/q-1;;-1
• InChIKey: FIPWMGTWJRWZCS-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 144.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1116.42
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylbenzene-4-id-1-yl)-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-bromo-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;1-(3-methylbenzene-6-id-1-yl)ethanone;bis(yttrium)?

The IUPAC name of 5-(3-acetylbenzene-4-id-1-yl)-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-bromo-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;1-(3-methylbenzene-6-id-1-yl)ethanone;bis(yttrium) (CID 158884596) is 5-(3-acetylbenzene-4-id-1-yl)-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-bromo-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;1-(3-methylbenzene-6-id-1-yl)ethanone;bis(yttrium).

What is the SMILES notation for 5-(3-acetylbenzene-4-id-1-yl)-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-bromo-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;1-(3-methylbenzene-6-id-1-yl)ethanone;bis(yttrium)?

The canonical SMILES for 5-(3-acetylbenzene-4-id-1-yl)-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-bromo-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;1-(3-methylbenzene-6-id-1-yl)ethanone;bis(yttrium) is CC(=O)c1[c-]ccc(C)c1.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(Cl)c(-c3cc[c-]c(C(C)=O)c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(Cl)c(Br)cc12.[Y].[Y].

What is the InChIKey of 5-(3-acetylbenzene-4-id-1-yl)-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-bromo-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;1-(3-methylbenzene-6-id-1-yl)ethanone;bis(yttrium)?

The InChIKey is FIPWMGTWJRWZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN2O3.C15H9BrClFN2O2.C9H9O.2Y/c1-12(28)14-4-3-5-15(10-14)17-11-18-19(22(29)26-2)20(30-23(18)27-21(17)24)13-6-8-16(25)9-7-13;1-19-14(21)11-9-6-10(16)13(17)20-15(9)22-12(11)7-2-4-8(18)5-3-7;1-7-4-3-5-9(6-7)8(2)10;;/h3,5-11H,1-2H3,(H,26,29);2-6H,1H3,(H,19,21);3-4,6H,1-2H3;;/q-1;;-1;;.

What are the key properties of 5-(3-acetylbenzene-4-id-1-yl)-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-bromo-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;1-(3-methylbenzene-6-id-1-yl)ethanone;bis(yttrium)?

5-(3-acetylbenzene-4-id-1-yl)-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-bromo-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;1-(3-methylbenzene-6-id-1-yl)ethanone;bis(yttrium) has a molecular weight of 1116.42 g/mol, XLogP of 11.72, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-acetylbenzene-4-id-1-yl)-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-bromo-6-chloro-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;1-(3-methylbenzene-6-id-1-yl)ethanone;bis(yttrium) is sourced from PubChem (CID 158884596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).