5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

C125H115F12N19O16 — CID 158467931

About 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 158467931) has the molecular formula C125H115F12N19O16 and a molecular weight of 2367.39 g/mol. Its IUPAC name is 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 158467931
• Molecular Formula: C125H115F12N19O16
• Molecular Weight: 2367.39 g/mol
• Exact Mass: 2365.86
• IUPAC Name: 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)NC4(C#N)CC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC4(C#N)CC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(OC)c(C(=O)NC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(OC)c(C(=O)NC4(C#N)CCCC4)c3)cc12
• InChI: InChI=1S/C32H30F3N5O4.C32H32F3N5O4.C31H27F3N4O4.C30H26F3N5O4/c1-18-6-8-19(9-7-18)26-25(29(42)37-2)23-15-21(27(39-30(23)44-26)38-17-32(33,34)35)20-10-11-24(43-3)22(14-20)28(41)40-31(16-36)12-4-5-13-31;1-17(2)31(4,15-36)40-28(41)22-13-20(11-12-24(22)43-6)21-14-23-25(29(42)37-5)26(19-9-7-18(3)8-10-19)44-30(23)39-27(21)38-16-32(33,34)35;1-17-4-6-18(7-5-17)26-25(28(40)36-2)22-15-20(23(37-29(22)42-26)10-11-31(32,33)34)19-8-9-24(41-3)21(14-19)27(39)38-30(16-35)12-13-30;1-16-4-6-17(7-5-16)24-23(26(40)35-2)20-13-19(22(37-28(20)42-24)8-9-30(31,32)33)18-12-21(27(41-3)36-14-18)25(39)38-29(15-34)10-11-29/h6-11,14-15H,4-5,12-13,17H2,1-3H3,(H,37,42)(H,38,39)(H,40,41);7-14,17H,16H2,1-6H3,(H,37,42)(H,38,39)(H,40,41);4-9,14-15H,10-13H2,1-3H3,(H,36,40)(H,38,39);4-7,12-14H,8-11H2,1-3H3,(H,35,40)(H,38,39)
• InChIKey: HFZHMNZLBLKJAM-UHFFFAOYSA-N
• XLogP: 24.49
• TPSA: 505.95 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 33
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2367.39
LogP ≤ 5	24.49
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (CID 158467931) is 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)NC4(C#N)CC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC4(C#N)CC4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(OC)c(C(=O)NC(C)(C#N)C(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(OC)c(C(=O)NC4(C#N)CCCC4)c3)cc12.

What is the InChIKey of 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is HFZHMNZLBLKJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N5O4.C32H32F3N5O4.C31H27F3N4O4.C30H26F3N5O4/c1-18-6-8-19(9-7-18)26-25(29(42)37-2)23-15-21(27(39-30(23)44-26)38-17-32(33,34)35)20-10-11-24(43-3)22(14-20)28(41)40-31(16-36)12-4-5-13-31;1-17(2)31(4,15-36)40-28(41)22-13-20(11-12-24(22)43-6)21-14-23-25(29(42)37-5)26(19-9-7-18(3)8-10-19)44-30(23)39-27(21)38-16-32(33,34)35;1-17-4-6-18(7-5-17)26-25(28(40)36-2)22-15-20(23(37-29(22)42-26)10-11-31(32,33)34)19-8-9-24(41-3)21(14-19)27(39)38-30(16-35)12-13-30;1-16-4-6-17(7-5-16)24-23(26(40)35-2)20-13-19(22(37-28(20)42-24)8-9-30(31,32)33)18-12-21(27(41-3)36-14-18)25(39)38-29(15-34)10-11-29/h6-11,14-15H,4-5,12-13,17H2,1-3H3,(H,37,42)(H,38,39)(H,40,41);7-14,17H,16H2,1-6H3,(H,37,42)(H,38,39)(H,40,41);4-9,14-15H,10-13H2,1-3H3,(H,36,40)(H,38,39);4-7,12-14H,8-11H2,1-3H3,(H,35,40)(H,38,39).

What are the key properties of 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 2367.39 g/mol, XLogP of 24.49, 33 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[5-[(1-cyanocyclopropyl)carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 158467931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).