3-amino-6-cyano-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1R)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1S)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-amino-12-hydroxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide;3-amino-6-methyl-N-[2-[4-[[(7R)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

C116H132F2N20O10S5 — CID 161217008

About 3-amino-6-cyano-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1R)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1S)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-amino-12-hydroxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide;3-amino-6-methyl-N-[2-[4-[[(7R)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-cyano-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1R)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1S)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-amino-12-hydroxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide;3-amino-6-methyl-N-[2-[4-[[(7R)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 161217008) has the molecular formula C116H132F2N20O10S5 and a molecular weight of 2164.79 g/mol. Its IUPAC name is 3-amino-6-cyano-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1R)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1S)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-amino-12-hydroxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide;3-amino-6-methyl-N-[2-[4-[[(7R)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-cyano-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1R)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1S)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-amino-12-hydroxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide;3-amino-6-methyl-N-[2-[4-[[(7R)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 161217008
• Molecular Formula: C116H132F2N20O10S5
• Molecular Weight: 2164.79 g/mol
• Exact Mass: 2162.90
• IUPAC Name: 3-amino-6-cyano-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1R)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1S)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-amino-12-hydroxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide;3-amino-6-methyl-N-[2-[4-[[(7R)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: C[C@@H](O)c1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.C[C@H](O)c1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(O[C@H]4COC5(CCC5)C4)cc3)sc2n1.N#Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)sc2nc3c(cc12)CCC3O
• InChI: InChI=1S/C24H28N4O2S.C24H27N3O3S.2C23H28N4O2S.C22H21F2N5OS/c25-20-18-14-16-6-9-19(29)21(16)27-24(18)31-22(20)23(30)26-11-10-15-4-7-17(8-5-15)28-12-2-1-3-13-28;1-15-3-8-19-20(25)21(31-23(19)27-15)22(28)26-12-9-16-4-6-17(7-5-16)30-18-13-24(29-14-18)10-2-11-24;2*1-15(28)19-10-9-18-20(24)21(30-23(18)26-19)22(29)25-12-11-16-5-7-17(8-6-16)27-13-3-2-4-14-27;23-16-11-18(29-8-2-1-3-9-29)17(24)10-13(16)6-7-27-21(30)20-19(26)15-5-4-14(12-25)28-22(15)31-20/h4-5,7-8,14,19,29H,1-3,6,9-13,25H2,(H,26,30);3-8,18H,2,9-14,25H2,1H3,(H,26,28);2*5-10,15,28H,2-4,11-14,24H2,1H3,(H,25,29);4-5,10-11H,1-3,6-9,26H2,(H,27,30)/t;18-;2*15-;/m.110./s1
• InChIKey: UWZQYXHMHRLXRT-IGFVJHCSSA-N
• XLogP: 19.85
• TPSA: 455.95 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2164.79
LogP ≤ 5	19.85
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-cyano-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1R)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1S)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-amino-12-hydroxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide;3-amino-6-methyl-N-[2-[4-[[(7R)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-6-cyano-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1R)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1S)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-amino-12-hydroxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide;3-amino-6-methyl-N-[2-[4-[[(7R)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 161217008) is 3-amino-6-cyano-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1R)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1S)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-amino-12-hydroxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide;3-amino-6-methyl-N-[2-[4-[[(7R)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-6-cyano-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1R)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1S)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-amino-12-hydroxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide;3-amino-6-methyl-N-[2-[4-[[(7R)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-6-cyano-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1R)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1S)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-amino-12-hydroxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide;3-amino-6-methyl-N-[2-[4-[[(7R)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is C[C@@H](O)c1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.C[C@H](O)c1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(O[C@H]4COC5(CCC5)C4)cc3)sc2n1.N#Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)sc2nc3c(cc12)CCC3O.

What is the InChIKey of 3-amino-6-cyano-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1R)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1S)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-amino-12-hydroxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide;3-amino-6-methyl-N-[2-[4-[[(7R)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is UWZQYXHMHRLXRT-IGFVJHCSSA-N. The full InChI is InChI=1S/C24H28N4O2S.C24H27N3O3S.2C23H28N4O2S.C22H21F2N5OS/c25-20-18-14-16-6-9-19(29)21(16)27-24(18)31-22(20)23(30)26-11-10-15-4-7-17(8-5-15)28-12-2-1-3-13-28;1-15-3-8-19-20(25)21(31-23(19)27-15)22(28)26-12-9-16-4-6-17(7-5-16)30-18-13-24(29-14-18)10-2-11-24;2*1-15(28)19-10-9-18-20(24)21(30-23(18)26-19)22(29)25-12-11-16-5-7-17(8-6-16)27-13-3-2-4-14-27;23-16-11-18(29-8-2-1-3-9-29)17(24)10-13(16)6-7-27-21(30)20-19(26)15-5-4-14(12-25)28-22(15)31-20/h4-5,7-8,14,19,29H,1-3,6,9-13,25H2,(H,26,30);3-8,18H,2,9-14,25H2,1H3,(H,26,28);2*5-10,15,28H,2-4,11-14,24H2,1H3,(H,25,29);4-5,10-11H,1-3,6-9,26H2,(H,27,30)/t;18-;2*15-;/m.110./s1.

What are the key properties of 3-amino-6-cyano-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1R)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1S)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-amino-12-hydroxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide;3-amino-6-methyl-N-[2-[4-[[(7R)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

3-amino-6-cyano-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1R)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1S)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-amino-12-hydroxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide;3-amino-6-methyl-N-[2-[4-[[(7R)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2164.79 g/mol, XLogP of 19.85, 28 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-cyano-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1R)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[(1S)-1-hydroxyethyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-amino-12-hydroxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide;3-amino-6-methyl-N-[2-[4-[[(7R)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 161217008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).