3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-ethylazetidin-1-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

C139H169F2N27O6S6 — CID 159022413

About 3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-ethylazetidin-1-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-ethylazetidin-1-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 159022413) has the molecular formula C139H169F2N27O6S6 and a molecular weight of 2544.46 g/mol. Its IUPAC name is 3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-ethylazetidin-1-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-ethylazetidin-1-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 159022413
• Molecular Formula: C139H169F2N27O6S6
• Molecular Weight: 2544.46 g/mol
• Exact Mass: 2542.20
• IUPAC Name: 3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-ethylazetidin-1-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CCC1CN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.CCN[C@@H]1CCN(c2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2)C1.CNc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@@H](NC(C)C)C4)cc3)sc2n1.Cc1nc2sc(C(=O)NCCc3ccc(N4CCCCC4)cc3)c(N)c2cc1C1CC1.Cc1nc2sc(C(=O)NCCc3ccc(N4CCCCC4)cc3)c(N)c2cc1N
• InChI: InChI=1S/C25H30N4OS.C24H31N5OS.C23H29N5OS.C23H28N4OS.C22H24F2N4OS.C22H27N5OS/c1-16-20(18-7-8-18)15-21-22(26)23(31-25(21)28-16)24(30)27-12-11-17-5-9-19(10-6-17)29-13-3-2-4-14-29;1-15(2)27-18-11-13-29(14-18)19-7-5-17(6-8-19)10-12-26-23(30)22-21(25)20-9-4-16(3)28-24(20)31-22;1-3-25-17-11-13-28(14-17)18-7-5-16(6-8-18)10-12-26-22(29)21-20(24)19-9-4-15(2)27-23(19)30-21;1-25-19-12-11-18-20(24)21(29-23(18)27-19)22(28)26-14-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16;1-3-13-10-28(11-13)18-9-16(23)14(8-17(18)24)6-7-26-21(29)20-19(25)15-5-4-12(2)27-22(15)30-20;1-14-18(23)13-17-19(24)20(29-22(17)26-14)21(28)25-10-9-15-5-7-16(8-6-15)27-11-3-2-4-12-27/h5-6,9-10,15,18H,2-4,7-8,11-14,26H2,1H3,(H,27,30);4-9,15,18,27H,10-14,25H2,1-3H3,(H,26,30);4-9,17,25H,3,10-14,24H2,1-2H3,(H,26,29);7-12,16H,2-6,13-14,24H2,1H3,(H,25,27)(H,26,28);4-5,8-9,13H,3,6-7,10-11,25H2,1-2H3,(H,26,29);5-8,13H,2-4,9-12,23-24H2,1H3,(H,25,28)/t;18-;17-;;;/m.11.../s1
• InChIKey: JTWDCJCWQBPLLV-VWOACUAOSA-N
• XLogP: 25.07
• TPSA: 486.37 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 33
• Rotatable Bonds: 37
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2544.46
LogP ≤ 5	25.07
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	33

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-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-ethylazetidin-1-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-ethylazetidin-1-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 159022413) is 3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-ethylazetidin-1-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-ethylazetidin-1-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-ethylazetidin-1-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is CCC1CN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.CCN[C@@H]1CCN(c2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2)C1.CNc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@@H](NC(C)C)C4)cc3)sc2n1.Cc1nc2sc(C(=O)NCCc3ccc(N4CCCCC4)cc3)c(N)c2cc1C1CC1.Cc1nc2sc(C(=O)NCCc3ccc(N4CCCCC4)cc3)c(N)c2cc1N.

What is the InChIKey of 3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-ethylazetidin-1-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is JTWDCJCWQBPLLV-VWOACUAOSA-N. The full InChI is InChI=1S/C25H30N4OS.C24H31N5OS.C23H29N5OS.C23H28N4OS.C22H24F2N4OS.C22H27N5OS/c1-16-20(18-7-8-18)15-21-22(26)23(31-25(21)28-16)24(30)27-12-11-17-5-9-19(10-6-17)29-13-3-2-4-14-29;1-15(2)27-18-11-13-29(14-18)19-7-5-17(6-8-19)10-12-26-23(30)22-21(25)20-9-4-16(3)28-24(20)31-22;1-3-25-17-11-13-28(14-17)18-7-5-16(6-8-18)10-12-26-22(29)21-20(24)19-9-4-15(2)27-23(19)30-21;1-25-19-12-11-18-20(24)21(29-23(18)27-19)22(28)26-14-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16;1-3-13-10-28(11-13)18-9-16(23)14(8-17(18)24)6-7-26-21(29)20-19(25)15-5-4-12(2)27-22(15)30-20;1-14-18(23)13-17-19(24)20(29-22(17)26-14)21(28)25-10-9-15-5-7-16(8-6-15)27-11-3-2-4-12-27/h5-6,9-10,15,18H,2-4,7-8,11-14,26H2,1H3,(H,27,30);4-9,15,18,27H,10-14,25H2,1-3H3,(H,26,30);4-9,17,25H,3,10-14,24H2,1-2H3,(H,26,29);7-12,16H,2-6,13-14,24H2,1H3,(H,25,27)(H,26,28);4-5,8-9,13H,3,6-7,10-11,25H2,1-2H3,(H,26,29);5-8,13H,2-4,9-12,23-24H2,1H3,(H,25,28)/t;18-;17-;;;/m.11.../s1.

What are the key properties of 3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-ethylazetidin-1-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-ethylazetidin-1-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2544.46 g/mol, XLogP of 25.07, 37 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-ethylazetidin-1-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,5-diamino-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 159022413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).