5-[3-[2-(1-cyanocyclopentyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-cyclopropylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide

C134H124F20N16O14 — CID 158451212

About 5-[3-[2-(1-cyanocyclopentyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-cyclopropylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide

5-[3-[2-(1-cyanocyclopentyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-cyclopropylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 158451212) has the molecular formula C134H124F20N16O14 and a molecular weight of 2562.52 g/mol. Its IUPAC name is 5-[3-[2-(1-cyanocyclopentyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-cyclopropylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-[2-(1-cyanocyclopentyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-cyclopropylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 158451212
• Molecular Formula: C134H124F20N16O14
• Molecular Weight: 2562.52 g/mol
• Exact Mass: 2560.92
• IUPAC Name: 5-[3-[2-(1-cyanocyclopentyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-cyclopropylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)C(F)(F)F)c(-c3ccc(OC)c(C(=O)CC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)C(F)(F)F)c(-c3ccc(OC)c(C(=O)CC(C)(C#N)C4CC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)C(F)(F)F)c(-c3cccc(C(=O)CC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)C(F)(F)F)c(-c3cccc(C(=O)CC4(C#N)CCCC4)c3)cc12
• InChI: InChI=1S/C34H31F5N4O4.C34H33F5N4O4.C33H29F5N4O3.C33H31F5N4O3/c1-18-5-7-19(8-6-18)28-27(30(45)41-3)24-14-22(29(43-31(24)47-28)42-17-33(35,36)34(37,38)39)20-9-12-26(46-4)23(13-20)25(44)15-32(2,16-40)21-10-11-21;1-18(2)32(4,16-40)15-25(44)23-13-21(11-12-26(23)46-6)22-14-24-27(30(45)41-5)28(20-9-7-19(3)8-10-20)47-31(24)43-29(22)42-17-33(35,36)34(37,38)39;1-19-8-10-20(11-9-19)27-26(29(44)40-2)24-15-23(28(42-30(24)45-27)41-18-32(34,35)33(36,37)38)21-6-5-7-22(14-21)25(43)16-31(17-39)12-3-4-13-31;1-18(2)31(4,16-39)15-25(43)22-8-6-7-21(13-22)23-14-24-26(29(44)40-5)27(20-11-9-19(3)10-12-20)45-30(24)42-28(23)41-17-32(34,35)33(36,37)38/h5-9,12-14,21H,10-11,15,17H2,1-4H3,(H,41,45)(H,42,43);7-14,18H,15,17H2,1-6H3,(H,41,45)(H,42,43);5-11,14-15H,3-4,12-13,16,18H2,1-2H3,(H,40,44)(H,41,42);6-14,18H,15,17H2,1-5H3,(H,40,44)(H,41,42)
• InChIKey: HDZVKKNORHIEAC-UHFFFAOYSA-N
• XLogP: 32.46
• TPSA: 450.54 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 41
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2562.52
LogP ≤ 5	32.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(1-cyanocyclopentyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-cyclopropylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 5-[3-[2-(1-cyanocyclopentyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-cyclopropylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide (CID 158451212) is 5-[3-[2-(1-cyanocyclopentyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-cyclopropylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-[3-[2-(1-cyanocyclopentyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-cyclopropylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 5-[3-[2-(1-cyanocyclopentyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-cyclopropylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)C(F)(F)F)c(-c3ccc(OC)c(C(=O)CC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)C(F)(F)F)c(-c3ccc(OC)c(C(=O)CC(C)(C#N)C4CC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)C(F)(F)F)c(-c3cccc(C(=O)CC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)C(F)(F)F)c(-c3cccc(C(=O)CC4(C#N)CCCC4)c3)cc12.

What is the InChIKey of 5-[3-[2-(1-cyanocyclopentyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-cyclopropylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is HDZVKKNORHIEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F5N4O4.C34H33F5N4O4.C33H29F5N4O3.C33H31F5N4O3/c1-18-5-7-19(8-6-18)28-27(30(45)41-3)24-14-22(29(43-31(24)47-28)42-17-33(35,36)34(37,38)39)20-9-12-26(46-4)23(13-20)25(44)15-32(2,16-40)21-10-11-21;1-18(2)32(4,16-40)15-25(44)23-13-21(11-12-26(23)46-6)22-14-24-27(30(45)41-5)28(20-9-7-19(3)8-10-20)47-31(24)43-29(22)42-17-33(35,36)34(37,38)39;1-19-8-10-20(11-9-19)27-26(29(44)40-2)24-15-23(28(42-30(24)45-27)41-18-32(34,35)33(36,37)38)21-6-5-7-22(14-21)25(43)16-31(17-39)12-3-4-13-31;1-18(2)31(4,16-39)15-25(43)22-8-6-7-21(13-22)23-14-24-26(29(44)40-5)27(20-11-9-19(3)10-12-20)45-30(24)42-28(23)41-17-32(34,35)33(36,37)38/h5-9,12-14,21H,10-11,15,17H2,1-4H3,(H,41,45)(H,42,43);7-14,18H,15,17H2,1-6H3,(H,41,45)(H,42,43);5-11,14-15H,3-4,12-13,16,18H2,1-2H3,(H,40,44)(H,41,42);6-14,18H,15,17H2,1-5H3,(H,40,44)(H,41,42).

What are the key properties of 5-[3-[2-(1-cyanocyclopentyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-cyclopropylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide?

5-[3-[2-(1-cyanocyclopentyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-cyclopropylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 2562.52 g/mol, XLogP of 32.46, 41 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[2-(1-cyanocyclopentyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-cyclopropylbutanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3,4-dimethylpentanoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 158451212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).