bis(3-amino-N-[2-[4-(2-azaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(5-chloro-6-piperidin-1-yl-3-pyridinyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-isocyanothieno[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;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-methyl-N-[2-[4-[[(7S)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

C166H191ClF2N28O12S7 — CID 159517183

About bis(3-amino-N-[2-[4-(2-azaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(5-chloro-6-piperidin-1-yl-3-pyridinyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-isocyanothieno[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;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-methyl-N-[2-[4-[[(7S)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

bis(3-amino-N-[2-[4-(2-azaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(5-chloro-6-piperidin-1-yl-3-pyridinyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-isocyanothieno[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;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-methyl-N-[2-[4-[[(7S)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 159517183) has the molecular formula C166H191ClF2N28O12S7 and a molecular weight of 3068.46 g/mol. Its IUPAC name is bis(3-amino-N-[2-[4-(2-azaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(5-chloro-6-piperidin-1-yl-3-pyridinyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-isocyanothieno[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;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-methyl-N-[2-[4-[[(7S)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: bis(3-amino-N-[2-[4-(2-azaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(5-chloro-6-piperidin-1-yl-3-pyridinyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-isocyanothieno[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;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-methyl-N-[2-[4-[[(7S)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 159517183
• Molecular Formula: C166H191ClF2N28O12S7
• Molecular Weight: 3068.46 g/mol
• Exact Mass: 3065.29
• IUPAC Name: bis(3-amino-N-[2-[4-(2-azaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(5-chloro-6-piperidin-1-yl-3-pyridinyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-isocyanothieno[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;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-methyl-N-[2-[4-[[(7S)-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.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC5(CCCCC5)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC5(CCCCC5)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(O[C@@H]4COC5(CCC5)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(O[C@H]4COC5(CCC5)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cnc(N4CCCCC4)c(Cl)c3)sc2n1.[C-]#[N+]c1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1
• InChI: InChI=1S/2C26H32N4OS.2C24H27N3O3S.C23H28N4O2S.C22H21F2N5OS.C21H24ClN5OS/c2*1-18-5-10-21-22(27)23(32-25(21)29-18)24(31)28-15-11-19-6-8-20(9-7-19)30-16-14-26(17-30)12-3-2-4-13-26;2*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;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;1-26-18-6-5-14-19(25)20(31-22(14)28-18)21(30)27-8-7-13-11-16(24)17(12-15(13)23)29-9-3-2-4-10-29;1-13-5-6-15-17(23)18(29-21(15)26-13)20(28)24-8-7-14-11-16(22)19(25-12-14)27-9-3-2-4-10-27/h2*5-10H,2-4,11-17,27H2,1H3,(H,28,31);2*3-8,18H,2,9-14,25H2,1H3,(H,26,28);5-10,15,28H,2-4,11-14,24H2,1H3,(H,25,29);5-6,11-12H,2-4,7-10,25H2,(H,27,30);5-6,11-12H,2-4,7-10,23H2,1H3,(H,24,28)/t;;2*18-;15-;;/m..100../s1
• InChIKey: MBISAXNDOOOABB-AFBHTLOSSA-N
• XLogP: 31.90
• TPSA: 566.67 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 39
• Rotatable Bonds: 38
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3068.46
LogP ≤ 5	31.90
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3-amino-N-[2-[4-(2-azaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(5-chloro-6-piperidin-1-yl-3-pyridinyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-isocyanothieno[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;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-methyl-N-[2-[4-[[(7S)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of bis(3-amino-N-[2-[4-(2-azaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(5-chloro-6-piperidin-1-yl-3-pyridinyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-isocyanothieno[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;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-methyl-N-[2-[4-[[(7S)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 159517183) is bis(3-amino-N-[2-[4-(2-azaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(5-chloro-6-piperidin-1-yl-3-pyridinyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-isocyanothieno[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;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-methyl-N-[2-[4-[[(7S)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for bis(3-amino-N-[2-[4-(2-azaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(5-chloro-6-piperidin-1-yl-3-pyridinyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-isocyanothieno[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;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-methyl-N-[2-[4-[[(7S)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for bis(3-amino-N-[2-[4-(2-azaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(5-chloro-6-piperidin-1-yl-3-pyridinyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-isocyanothieno[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;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-methyl-N-[2-[4-[[(7S)-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.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC5(CCCCC5)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC5(CCCCC5)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(O[C@@H]4COC5(CCC5)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(O[C@H]4COC5(CCC5)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cnc(N4CCCCC4)c(Cl)c3)sc2n1.[C-]#[N+]c1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.

What is the InChIKey of bis(3-amino-N-[2-[4-(2-azaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(5-chloro-6-piperidin-1-yl-3-pyridinyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-isocyanothieno[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;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-methyl-N-[2-[4-[[(7S)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is MBISAXNDOOOABB-AFBHTLOSSA-N. The full InChI is InChI=1S/2C26H32N4OS.2C24H27N3O3S.C23H28N4O2S.C22H21F2N5OS.C21H24ClN5OS/c2*1-18-5-10-21-22(27)23(32-25(21)29-18)24(31)28-15-11-19-6-8-20(9-7-19)30-16-14-26(17-30)12-3-2-4-13-26;2*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;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;1-26-18-6-5-14-19(25)20(31-22(14)28-18)21(30)27-8-7-13-11-16(24)17(12-15(13)23)29-9-3-2-4-10-29;1-13-5-6-15-17(23)18(29-21(15)26-13)20(28)24-8-7-14-11-16(22)19(25-12-14)27-9-3-2-4-10-27/h2*5-10H,2-4,11-17,27H2,1H3,(H,28,31);2*3-8,18H,2,9-14,25H2,1H3,(H,26,28);5-10,15,28H,2-4,11-14,24H2,1H3,(H,25,29);5-6,11-12H,2-4,7-10,25H2,(H,27,30);5-6,11-12H,2-4,7-10,23H2,1H3,(H,24,28)/t;;2*18-;15-;;/m..100../s1.

What are the key properties of bis(3-amino-N-[2-[4-(2-azaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(5-chloro-6-piperidin-1-yl-3-pyridinyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-isocyanothieno[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;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-methyl-N-[2-[4-[[(7S)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

bis(3-amino-N-[2-[4-(2-azaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(5-chloro-6-piperidin-1-yl-3-pyridinyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-isocyanothieno[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;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-methyl-N-[2-[4-[[(7S)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 3068.46 g/mol, XLogP of 31.90, 38 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-amino-N-[2-[4-(2-azaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(5-chloro-6-piperidin-1-yl-3-pyridinyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-isocyanothieno[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;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-methyl-N-[2-[4-[[(7S)-5-oxaspiro[3.4]octan-7-yl]oxy]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 159517183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).