3-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C137H154F11N25O6S6 — CID 159592883

About 3-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 159592883) has the molecular formula C137H154F11N25O6S6 and a molecular weight of 2648.29 g/mol. Its IUPAC name is 3-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 159592883
• Molecular Formula: C137H154F11N25O6S6
• Molecular Weight: 2648.29 g/mol
• Exact Mass: 2646.07
• IUPAC Name: 3-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CC[C@@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.CC[C@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.CCc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.CCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CC5CCC(C4)N5)c(F)c3)sc2n1.Cc1nc2sc(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)c(N)c2cc1F
• InChI: InChI=1S/C23H25F2N5OS.3C23H26F2N4OS.C23H28N4OS.C22H23F3N4OS/c1-12-2-5-16-19(26)21(32-23(16)28-12)22(31)27-7-6-13-8-17(24)20(18(25)9-13)30-10-14-3-4-15(11-30)29-14;2*1-3-14-7-9-29(12-14)19-11-17(24)15(10-18(19)25)6-8-27-22(30)21-20(26)16-5-4-13(2)28-23(16)31-21;1-2-15-6-7-16-20(26)21(31-23(16)28-15)22(30)27-9-8-14-12-18(25)19(13-17(14)24)29-10-4-3-5-11-29;1-2-17-8-11-19-20(24)21(29-23(19)26-17)22(28)25-13-12-16-6-9-18(10-7-16)27-14-4-3-5-15-27;1-12-15(23)10-14-19(26)20(31-22(14)28-12)21(30)27-6-5-13-9-17(25)18(11-16(13)24)29-7-3-2-4-8-29/h2,5,8-9,14-15,29H,3-4,6-7,10-11,26H2,1H3,(H,27,31);2*4-5,10-11,14H,3,6-9,12,26H2,1-2H3,(H,27,30);6-7,12-13H,2-5,8-11,26H2,1H3,(H,27,30);6-11H,2-5,12-15,24H2,1H3,(H,25,28);9-11H,2-8,26H2,1H3,(H,27,30)/t;2*14-;;;/m.10.../s1
• InChIKey: MKLRXVCVYYSQCN-OKGIGZRJSA-N
• XLogP: 26.38
• TPSA: 439.53 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 34
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2648.29
LogP ≤ 5	26.38
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

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-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 159592883) is 3-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is CC[C@@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.CC[C@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.CCc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.CCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CC5CCC(C4)N5)c(F)c3)sc2n1.Cc1nc2sc(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)c(N)c2cc1F.

What is the InChIKey of 3-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is MKLRXVCVYYSQCN-OKGIGZRJSA-N. The full InChI is InChI=1S/C23H25F2N5OS.3C23H26F2N4OS.C23H28N4OS.C22H23F3N4OS/c1-12-2-5-16-19(26)21(32-23(16)28-12)22(31)27-7-6-13-8-17(24)20(18(25)9-13)30-10-14-3-4-15(11-30)29-14;2*1-3-14-7-9-29(12-14)19-11-17(24)15(10-18(19)25)6-8-27-22(30)21-20(26)16-5-4-13(2)28-23(16)31-21;1-2-15-6-7-16-20(26)21(31-23(16)28-15)22(30)27-9-8-14-12-18(25)19(13-17(14)24)29-10-4-3-5-11-29;1-2-17-8-11-19-20(24)21(29-23(19)26-17)22(28)25-13-12-16-6-9-18(10-7-16)27-14-4-3-5-15-27;1-12-15(23)10-14-19(26)20(31-22(14)28-12)21(30)27-6-5-13-9-17(25)18(11-16(13)24)29-7-3-2-4-8-29/h2,5,8-9,14-15,29H,3-4,6-7,10-11,26H2,1H3,(H,27,31);2*4-5,10-11,14H,3,6-9,12,26H2,1-2H3,(H,27,30);6-7,12-13H,2-5,8-11,26H2,1H3,(H,27,30);6-11H,2-5,12-15,24H2,1H3,(H,25,28);9-11H,2-8,26H2,1H3,(H,27,30)/t;2*14-;;;/m.10.../s1.

What are the key properties of 3-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2648.29 g/mol, XLogP of 26.38, 34 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 159592883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).