5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

C30H26F7N3O4 — CID 147411671

About 5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 147411671) has the molecular formula C30H26F7N3O4 and a molecular weight of 625.54 g/mol. Its IUPAC name is 5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 147411671
• Molecular Formula: C30H26F7N3O4
• Molecular Weight: 625.54 g/mol
• Exact Mass: 625.18
• IUPAC Name: 5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(OC)c(C(=O)CC(CF)(CF)CF)c3)cc12
• InChI: InChI=1S/C30H26F7N3O4/c1-38-27(42)24-21-10-19(17-5-8-23(43-2)20(9-17)22(41)11-29(12-31,13-32)14-33)26(39-15-30(35,36)37)40-28(21)44-25(24)16-3-6-18(34)7-4-16/h3-10H,11-15H2,1-2H3,(H,38,42)(H,39,40)
• InChIKey: DQSOHRGNPVGOIX-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 93.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.54
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (CID 147411671) is 5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(OC)c(C(=O)CC(CF)(CF)CF)c3)cc12.

What is the InChIKey of 5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is DQSOHRGNPVGOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F7N3O4/c1-38-27(42)24-21-10-19(17-5-8-23(43-2)20(9-17)22(41)11-29(12-31,13-32)14-33)26(39-15-30(35,36)37)40-28(21)44-25(24)16-3-6-18(34)7-4-16/h3-10H,11-15H2,1-2H3,(H,38,42)(H,39,40).

What are the key properties of 5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 625.54 g/mol, XLogP of 7.11, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 147411671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).