3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(2R)-2-(4-piperidin-1-ylphenyl)propyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-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
C140H170F2N26O6S6 — CID 158922125
Data last refreshed: (MolForge compound catalog, from PubChem)
About 3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(2R)-2-(4-piperidin-1-ylphenyl)propyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-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-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(2R)-2-(4-piperidin-1-ylphenyl)propyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-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 158922125) has the molecular formula C140H170F2N26O6S6 and a molecular weight of 2543.47 g/mol. Its IUPAC name is 3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(2R)-2-(4-piperidin-1-ylphenyl)propyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-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-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(2R)-2-(4-piperidin-1-ylphenyl)propyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-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 | 158922125 |
| Molecular Formula | C140H170F2N26O6S6 |
| Molecular Weight | 2543.47 g/mol |
| Exact Mass | 2541.21 |
| IUPAC Name | 3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(2R)-2-(4-piperidin-1-ylphenyl)propyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-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 | CCC[C@@H]1CCN(c2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2)C1.CNC1CN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@@H](CC(C)C)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CCCCC4)cc3)sc2n1.Cc1nc2sc(C(=O)NCCc3ccc(N4CCCCC4)cc3)c(N)c2cc1C1CC1.Cc1nc2sc(C(=O)NCCc3ccc(N4CCCCC4)cc3)c(N)c2cc1N |
| InChI | InChI=1S/C25H30N4OS.C25H32N4OS.C24H30N4OS.C23H28N4OS.C22H27N5OS.C21H23F2N5OS/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;1-16(2)14-19-11-13-29(15-19)20-7-5-18(6-8-20)10-12-27-24(30)23-22(26)21-9-4-17(3)28-25(21)31-23;1-3-4-18-12-14-28(15-18)19-8-6-17(7-9-19)11-13-26-23(29)22-21(25)20-10-5-16(2)27-24(20)30-22;1-15(17-7-9-18(10-8-17)27-12-4-3-5-13-27)14-25-22(28)21-20(24)19-11-6-16(2)26-23(19)29-21;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;1-11-3-4-14-18(24)19(30-21(14)27-11)20(29)26-6-5-12-7-16(23)17(8-15(12)22)28-9-13(10-28)25-2/h5-6,9-10,15,18H,2-4,7-8,11-14,26H2,1H3,(H,27,30);4-9,16,19H,10-15,26H2,1-3H3,(H,27,30);5-10,18H,3-4,11-15,25H2,1-2H3,(H,26,29);6-11,15H,3-5,12-14,24H2,1-2H3,(H,25,28);5-8,13H,2-4,9-12,23-24H2,1H3,(H,25,28);3-4,7-8,13,25H,5-6,9-10,24H2,1-2H3,(H,26,29)/t;19-;18-;15-;;/m.010../s1 |
| InChIKey | JHYPSAQBUQPKGZ-YHLJYZRZSA-N |
| XLogP | 26.13 |
| TPSA | 465.55 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 180 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2543.47 |
| LogP ≤ 5 | 26.13 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 32 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 158922125 — identifiers, structure, computed properties (public domain)
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