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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide

C191H174F19N23O21 — CID 158296475

IUPAC5-[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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
SMILESC=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(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)CC4(C#N)CCCC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCCO)c(-c3cccc(C(=O)CC(C)(C)C#N)c3)cc12
InChIInChI=1S/C34H31F5N4O4.C34H33F5N4O4.C33H29F5N4O3.C30H24F4N4O3.C30H30N4O4.C30H27N3O3/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;1-16-3-5-17(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;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/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);3-8,13-14H,9-12H2,1-2H3,(H,36,40)(H,38,39);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)
InChIKeyGLYXCCILEBDYRV-UHFFFAOYSA-N
MW3488.59 g/mol
LogP42.47
Rot. Bonds54

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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 158296475) has the molecular formula C191H174F19N23O21 and a molecular weight of 3488.59 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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;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 Name5-[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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
PubChem CID158296475
Molecular FormulaC191H174F19N23O21
Molecular Weight3488.59 g/mol
Exact Mass3486.30
IUPAC Name5-[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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
SMILESC=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(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)CC4(C#N)CCCC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCCO)c(-c3cccc(C(=O)CC(C)(C)C#N)c3)cc12
InChIInChI=1S/C34H31F5N4O4.C34H33F5N4O4.C33H29F5N4O3.C30H24F4N4O3.C30H30N4O4.C30H27N3O3/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;1-16-3-5-17(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;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/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);3-8,13-14H,9-12H2,1-2H3,(H,36,40)(H,38,39);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)
InChIKeyGLYXCCILEBDYRV-UHFFFAOYSA-N
XLogP42.47
TPSA674.78 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds54
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003488.59
LogP ≤ 542.47
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide with MolForge

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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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;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-[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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide (CID 158296475) 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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;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-[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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;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-[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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;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(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)CC4(C#N)CCCC4)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-[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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;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 GLYXCCILEBDYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F5N4O4.C34H33F5N4O4.C33H29F5N4O3.C30H24F4N4O3.C30H30N4O4.C30H27N3O3/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;1-16-3-5-17(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;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/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);3-8,13-14H,9-12H2,1-2H3,(H,36,40)(H,38,39);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-[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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(3-cyano-3-methylbutanoyl)phenyl]-6-(2-hydroxyethylamino)-N-methyl-2-(4-methylphenyl)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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;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 3488.59 g/mol, XLogP of 42.47, 54 rotatable bonds, 12 hydrogen bond donors, and 37 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-[(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-3,4-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-methylbutanoyl)phenyl]-6-ethenyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;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 158296475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).