5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;bis(5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide)

C151H137F8N19O17 — CID 157099452

About 5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;bis(5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide)

5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;bis(5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide) (PubChem CID 157099452) has the molecular formula C151H137F8N19O17 and a molecular weight of 2641.86 g/mol. Its IUPAC name is 5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;bis(5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide).

Molecular Properties

• Compound Name: 5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;bis(5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide)
• PubChem CID: 157099452
• Molecular Formula: C151H137F8N19O17
• Molecular Weight: 2641.86 g/mol
• Exact Mass: 2640.03
• IUPAC Name: 5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;bis(5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide)
• SMILES: C=Cc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)CC(C)(C)C#N)c1.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(F)c(C(=O)NC4(C#N)CC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(F)c(C(=O)NC4(C#N)CCC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCCO)c(-c3cccc(C(=O)CC(C)(C)C#N)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCCO)c(-c3cccc(C(=O)CC(C)(C)C#N)c3)cc12
• InChI: InChI=1S/C31H26F4N4O3.C30H24F4N4O3.2C30H30N4O4.C30H27N3O3/c1-17-4-6-18(7-5-17)26-25(28(41)37-2)22-15-20(24(38-29(22)42-26)10-13-31(33,34)35)19-8-9-23(32)21(14-19)27(40)39-30(16-36)11-3-12-30;1-16-3-5-17(6-4-16)25-24(27(40)36-2)21-14-19(23(37-28(21)41-25)9-10-30(32,33)34)18-7-8-22(31)20(13-18)26(39)38-29(15-35)11-12-29;2*1-18-8-10-19(11-9-18)26-25(28(37)32-4)23-15-22(27(33-12-13-35)34-29(23)38-26)20-6-5-7-21(14-20)24(36)16-30(2,3)17-31;1-6-24-22(20-8-7-9-21(14-20)25(34)16-30(3,4)17-31)15-23-26(28(35)32-5)27(36-29(23)33-24)19-12-10-18(2)11-13-19/h4-9,14-15H,3,10-13H2,1-2H3,(H,37,41)(H,39,40);3-8,13-14H,9-12H2,1-2H3,(H,36,40)(H,38,39);2*5-11,14-15,35H,12-13,16H2,1-4H3,(H,32,37)(H,33,34);6-15H,1,16H2,2-5H3,(H,32,35)
• InChIKey: AFPCZNTWTBVGLB-UHFFFAOYSA-N
• XLogP: 30.20
• TPSA: 568.53 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 39
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2641.86
LogP ≤ 5	30.20
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;bis(5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide)?

The IUPAC name of 5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;bis(5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide) (CID 157099452) is 5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;bis(5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide).

What is the SMILES notation for 5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;bis(5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide)?

The canonical SMILES for 5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;bis(5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide) is C=Cc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)CC(C)(C)C#N)c1.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(F)c(C(=O)NC4(C#N)CC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(F)c(C(=O)NC4(C#N)CCC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCCO)c(-c3cccc(C(=O)CC(C)(C)C#N)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCCO)c(-c3cccc(C(=O)CC(C)(C)C#N)c3)cc12.

What is the InChIKey of 5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;bis(5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide)?

The InChIKey is AFPCZNTWTBVGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F4N4O3.C30H24F4N4O3.2C30H30N4O4.C30H27N3O3/c1-17-4-6-18(7-5-17)26-25(28(41)37-2)22-15-20(24(38-29(22)42-26)10-13-31(33,34)35)19-8-9-23(32)21(14-19)27(40)39-30(16-36)11-3-12-30;1-16-3-5-17(6-4-16)25-24(27(40)36-2)21-14-19(23(37-28(21)41-25)9-10-30(32,33)34)18-7-8-22(31)20(13-18)26(39)38-29(15-35)11-12-29;2*1-18-8-10-19(11-9-18)26-25(28(37)32-4)23-15-22(27(33-12-13-35)34-29(23)38-26)20-6-5-7-21(14-20)24(36)16-30(2,3)17-31;1-6-24-22(20-8-7-9-21(14-20)25(34)16-30(3,4)17-31)15-23-26(28(35)32-5)27(36-29(23)33-24)19-12-10-18(2)11-13-19/h4-9,14-15H,3,10-13H2,1-2H3,(H,37,41)(H,39,40);3-8,13-14H,9-12H2,1-2H3,(H,36,40)(H,38,39);2*5-11,14-15,35H,12-13,16H2,1-4H3,(H,32,37)(H,33,34);6-15H,1,16H2,2-5H3,(H,32,35).

What are the key properties of 5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;bis(5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide)?

5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;bis(5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide) has a molecular weight of 2641.86 g/mol, XLogP of 30.20, 39 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(1-cyanocyclobutyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;bis(5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide) is sourced from PubChem (CID 157099452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).