2-(4-fluorophenyl)-5-[4-fluoro-3-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide

C28H21F8N3O3 — CID 118896054

About 2-(4-fluorophenyl)-5-[4-fluoro-3-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide

2-(4-fluorophenyl)-5-[4-fluoro-3-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 118896054) has the molecular formula C28H21F8N3O3 and a molecular weight of 599.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[4-fluoro-3-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-5-[4-fluoro-3-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 118896054
• Molecular Formula: C28H21F8N3O3
• Molecular Weight: 599.48 g/mol
• Exact Mass: 599.15
• IUPAC Name: 2-(4-fluorophenyl)-5-[4-fluoro-3-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(F)c(C(=O)NC(C)C(F)(F)F)c3)cc12
• InChI: InChI=1S/C28H21F8N3O3/c1-13(28(34,35)36)38-24(40)18-11-15(5-8-20(18)30)17-12-19-22(25(41)37-2)23(14-3-6-16(29)7-4-14)42-26(19)39-21(17)9-10-27(31,32)33/h3-8,11-13H,9-10H2,1-2H3,(H,37,41)(H,38,40)
• InChIKey: IXFUTKNLTHQRFG-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.48
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[4-fluoro-3-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-5-[4-fluoro-3-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (CID 118896054) is 2-(4-fluorophenyl)-5-[4-fluoro-3-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-5-[4-fluoro-3-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-5-[4-fluoro-3-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(F)c(C(=O)NC(C)C(F)(F)F)c3)cc12.

What is the InChIKey of 2-(4-fluorophenyl)-5-[4-fluoro-3-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is IXFUTKNLTHQRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F8N3O3/c1-13(28(34,35)36)38-24(40)18-11-15(5-8-20(18)30)17-12-19-22(25(41)37-2)23(14-3-6-16(29)7-4-14)42-26(19)39-21(17)9-10-27(31,32)33/h3-8,11-13H,9-10H2,1-2H3,(H,37,41)(H,38,40).

What are the key properties of 2-(4-fluorophenyl)-5-[4-fluoro-3-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?

2-(4-fluorophenyl)-5-[4-fluoro-3-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 599.48 g/mol, XLogP of 6.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-5-[4-fluoro-3-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 118896054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).