5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(triazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide

C60H56F7N9O6 — CID 158150079

About 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(triazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide

5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(triazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 158150079) has the molecular formula C60H56F7N9O6 and a molecular weight of 1132.15 g/mol. Its IUPAC name is 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(triazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(triazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 158150079
• Molecular Formula: C60H56F7N9O6
• Molecular Weight: 1132.15 g/mol
• Exact Mass: 1131.42
• IUPAC Name: 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(triazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(-n3ccnn3)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12
• InChI: InChI=1S/C31H29F3N6O3.C29H27F4N3O3/c1-30(2,3)38-27(41)20-7-5-6-19(16-20)22-17-23-25(28(42)35-4)26(43-29(23)37-24(22)12-13-31(32,33)34)18-8-10-21(11-9-18)40-15-14-36-39-40;1-28(2,3)36-25(37)18-7-5-6-17(14-18)20-15-21-23(26(38)34-4)24(16-8-10-19(30)11-9-16)39-27(21)35-22(20)12-13-29(31,32)33/h5-11,14-17H,12-13H2,1-4H3,(H,35,42)(H,38,41);5-11,14-15H,12-13H2,1-4H3,(H,34,38)(H,36,37)
• InChIKey: FUZPMODHGHXOLT-UHFFFAOYSA-N
• XLogP: 12.81
• TPSA: 199.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1132.15
LogP ≤ 5	12.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(triazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(triazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (CID 158150079) is 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(triazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(triazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(triazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(-n3ccnn3)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C)C)c3)cc12.

What is the InChIKey of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(triazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is FUZPMODHGHXOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F3N6O3.C29H27F4N3O3/c1-30(2,3)38-27(41)20-7-5-6-19(16-20)22-17-23-25(28(42)35-4)26(43-29(23)37-24(22)12-13-31(32,33)34)18-8-10-21(11-9-18)40-15-14-36-39-40;1-28(2,3)36-25(37)18-7-5-6-17(14-18)20-15-21-23(26(38)34-4)24(16-8-10-19(30)11-9-16)39-27(21)35-22(20)12-13-29(31,32)33/h5-11,14-17H,12-13H2,1-4H3,(H,35,42)(H,38,41);5-11,14-15H,12-13H2,1-4H3,(H,34,38)(H,36,37).

What are the key properties of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(triazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?

5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(triazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 1132.15 g/mol, XLogP of 12.81, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(triazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 158150079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).