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-methylpyrrolidin-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-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[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

C135H163F2N27O6S6 — CID 160559977

About 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-methylpyrrolidin-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-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[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-[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-methylpyrrolidin-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-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[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 160559977) has the molecular formula C135H163F2N27O6S6 and a molecular weight of 2490.37 g/mol. Its IUPAC name is 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-methylpyrrolidin-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-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[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-[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-methylpyrrolidin-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-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[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: 160559977
• Molecular Formula: C135H163F2N27O6S6
• Molecular Weight: 2490.37 g/mol
• Exact Mass: 2488.16
• IUPAC Name: 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-methylpyrrolidin-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-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[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: CNC1CN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@@H](C)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@@H](NC(C)C)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CCCCC4)cc3)sc2n1.Cc1nc2sc(C(=O)NCCc3ccc(N4CCCCC4)cc3)c(N)c2cc1N
• InChI: InChI=1S/C24H31N5OS.2C23H28N4OS.C22H27N5OS.C22H26N4OS.C21H23F2N5OS/c1-15(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;2*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;1-14-10-12-26(13-14)17-6-4-16(5-7-17)9-11-24-21(27)20-19(23)18-8-3-15(2)25-22(18)28-20;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/h4-9,15,18,27H,10-14,25H2,1-3H3,(H,26,30);2*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);3-8,14H,9-13,23H2,1-2H3,(H,24,27);3-4,7-8,13,25H,5-6,9-10,24H2,1-2H3,(H,26,29)/t18-;2*15-;;14-;/m110.1./s1
• InChIKey: QZEGMMOXJOODRR-SVYGESDNSA-N
• XLogP: 23.74
• TPSA: 477.58 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2490.37
LogP ≤ 5	23.74
H-Bond Donors ≤ 5	15
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-[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-methylpyrrolidin-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-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[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-[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-methylpyrrolidin-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-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[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 160559977) is 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-methylpyrrolidin-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-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[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-[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-methylpyrrolidin-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-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[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-[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-methylpyrrolidin-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-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[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 CNC1CN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@@H](C)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@@H](NC(C)C)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CCCCC4)cc3)sc2n1.Cc1nc2sc(C(=O)NCCc3ccc(N4CCCCC4)cc3)c(N)c2cc1N.

What is the InChIKey of 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-methylpyrrolidin-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-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[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 QZEGMMOXJOODRR-SVYGESDNSA-N. The full InChI is InChI=1S/C24H31N5OS.2C23H28N4OS.C22H27N5OS.C22H26N4OS.C21H23F2N5OS/c1-15(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;2*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;1-14-10-12-26(13-14)17-6-4-16(5-7-17)9-11-24-21(27)20-19(23)18-8-3-15(2)25-22(18)28-20;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/h4-9,15,18,27H,10-14,25H2,1-3H3,(H,26,30);2*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);3-8,14H,9-13,23H2,1-2H3,(H,24,27);3-4,7-8,13,25H,5-6,9-10,24H2,1-2H3,(H,26,29)/t18-;2*15-;;14-;/m110.1./s1.

What are the key properties of 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-methylpyrrolidin-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-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[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-[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-methylpyrrolidin-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-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[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 2490.37 g/mol, XLogP of 23.74, 33 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 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-methylpyrrolidin-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-[(2S)-2-(4-piperidin-1-ylphenyl)propyl]thieno[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 160559977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).