5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide;5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide

C₉₁H₈₇F₇N₁₄O₁₁ — CID 157082910

About 5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide;5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide

5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide;5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide (PubChem CID 157082910) has the molecular formula C₉₁H₈₇F₇N₁₄O₁₁ and a molecular weight of 1685.77 g/mol. Its IUPAC name is 5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide;5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide;5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide
• PubChem CID: 157082910
• Molecular Formula: C₉₁H₈₇F₇N₁₄O₁₁
• Molecular Weight: 1685.77 g/mol
• Exact Mass: 1684.66
• IUPAC Name: 5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide;5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide
• SMILES: CCCc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)NC(C)(C)C#N)c1.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(OCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C#N)C(C)C)c3)cc12
• InChI: InChI=1S/C31H31F3N6O4.C30H26F4N4O4.C30H30N4O3/c1-16(2)30(4,14-35)40-26(41)22-11-19(13-37-28(22)43-6)20-12-21-23(27(42)36-5)24(18-9-7-17(3)8-10-18)44-29(21)39-25(20)38-15-31(32,33)34;1-16(2)29(3,14-35)38-25(39)19-7-5-6-18(12-19)21-13-22-23(26(40)36-4)24(17-8-10-20(31)11-9-17)42-28(22)37-27(21)41-15-30(32,33)34;1-6-8-24-22(20-9-7-10-21(15-20)27(35)34-30(3,4)17-31)16-23-25(28(36)32-5)26(37-29(23)33-24)19-13-11-18(2)12-14-19/h7-13,16H,15H2,1-6H3,(H,36,42)(H,38,39)(H,40,41);5-13,16H,15H2,1-4H3,(H,36,40)(H,38,39);7,9-16H,6,8H2,1-5H3,(H,32,36)(H,34,35)
• InChIKey: ADTIVFGXAUYYOI-UHFFFAOYSA-N
• XLogP: 17.96
• TPSA: 367.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1685.77
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide;5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide;5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide (CID 157082910) is 5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide;5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide;5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide;5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide is CCCc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)NC(C)(C)C#N)c1.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(OCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C#N)C(C)C)c3)cc12.

What is the InChIKey of 5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide;5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide?

The InChIKey is ADTIVFGXAUYYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F3N6O4.C30H26F4N4O4.C30H30N4O3/c1-16(2)30(4,14-35)40-26(41)22-11-19(13-37-28(22)43-6)20-12-21-23(27(42)36-5)24(18-9-7-17(3)8-10-18)44-29(21)39-25(20)38-15-31(32,33)34;1-16(2)29(3,14-35)38-25(39)19-7-5-6-18(12-19)21-13-22-23(26(40)36-4)24(17-8-10-20(31)11-9-17)42-28(22)37-27(21)41-15-30(32,33)34;1-6-8-24-22(20-9-7-10-21(15-20)27(35)34-30(3,4)17-31)16-23-25(28(36)32-5)26(37-29(23)33-24)19-13-11-18(2)12-14-19/h7-13,16H,15H2,1-6H3,(H,36,42)(H,38,39)(H,40,41);5-13,16H,15H2,1-4H3,(H,36,40)(H,38,39);7,9-16H,6,8H2,1-5H3,(H,32,36)(H,34,35).

What are the key properties of 5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide;5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide?

5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide;5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 1685.77 g/mol, XLogP of 17.96, 24 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide;5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 157082910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157082910 — identifiers, structure, computed properties (public domain)

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