3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-cyanophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2-(methoxymethyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2,3,5-trifluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C137H150ClF8N25O7S6 — CID 158942283

About 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-cyanophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2-(methoxymethyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2,3,5-trifluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-cyanophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2-(methoxymethyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2,3,5-trifluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 158942283) has the molecular formula C137H150ClF8N25O7S6 and a molecular weight of 2638.71 g/mol. Its IUPAC name is 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-cyanophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2-(methoxymethyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2,3,5-trifluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-cyanophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2-(methoxymethyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2,3,5-trifluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 158942283
• Molecular Formula: C137H150ClF8N25O7S6
• Molecular Weight: 2638.71 g/mol
• Exact Mass: 2636.00
• IUPAC Name: 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-cyanophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2-(methoxymethyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2,3,5-trifluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: COCc1cc(N2CCCCC2)ccc1CCNC(=O)c1sc2nc(C)ccc2c1N.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CC5CC(C5)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)c(F)c3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC5CC(C5)C4)cc3C#N)sc2n1.Cc1cnc2sc(C(=O)NCCc3ccc(N4CCCCC4)c(Cl)c3)c(N)c2c1.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)sc2nc(C(F)(F)F)ccc12
• InChI: InChI=1S/C24H25N5OS.C24H30N4O2S.C23H24F2N4OS.C22H25ClN4OS.2C22H23F3N4OS/c1-14-2-5-20-21(26)22(31-24(20)28-14)23(30)27-7-6-17-3-4-19(10-18(17)11-25)29-12-15-8-16(9-15)13-29;1-16-6-9-20-21(25)22(31-24(20)27-16)23(29)26-11-10-17-7-8-19(14-18(17)15-30-2)28-12-4-3-5-13-28;1-12-2-3-16-20(26)21(31-23(16)28-12)22(30)27-5-4-15-8-18(25)19(9-17(15)24)29-10-13-6-14(7-13)11-29;1-14-11-16-19(24)20(29-22(16)26-13-14)21(28)25-8-7-15-5-6-18(17(23)12-15)27-9-3-2-4-10-27;1-12-5-6-14-18(26)20(31-22(14)28-12)21(30)27-8-7-13-11-15(23)19(17(25)16(13)24)29-9-3-2-4-10-29;23-22(24,25)17-9-8-16-18(26)19(31-21(16)28-17)20(30)27-11-10-14-4-6-15(7-5-14)29-12-2-1-3-13-29/h2-5,10,15-16H,6-9,12-13,26H2,1H3,(H,27,30);6-9,14H,3-5,10-13,15,25H2,1-2H3,(H,26,29);2-3,8-9,13-14H,4-7,10-11,26H2,1H3,(H,27,30);5-6,11-13H,2-4,7-10,24H2,1H3,(H,25,28);5-6,11H,2-4,7-10,26H2,1H3,(H,27,30);4-9H,1-3,10-13,26H2,(H,27,30)
• InChIKey: JKJZUIPVKUDHQB-UHFFFAOYSA-N
• XLogP: 26.69
• TPSA: 460.52 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 32
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2638.71
LogP ≤ 5	26.69
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-cyanophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2-(methoxymethyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2,3,5-trifluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-cyanophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2-(methoxymethyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2,3,5-trifluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 158942283) is 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-cyanophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2-(methoxymethyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2,3,5-trifluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-cyanophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2-(methoxymethyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2,3,5-trifluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-cyanophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2-(methoxymethyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2,3,5-trifluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is COCc1cc(N2CCCCC2)ccc1CCNC(=O)c1sc2nc(C)ccc2c1N.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CC5CC(C5)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)c(F)c3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC5CC(C5)C4)cc3C#N)sc2n1.Cc1cnc2sc(C(=O)NCCc3ccc(N4CCCCC4)c(Cl)c3)c(N)c2c1.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)sc2nc(C(F)(F)F)ccc12.

What is the InChIKey of 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-cyanophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2-(methoxymethyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2,3,5-trifluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is JKJZUIPVKUDHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS.C24H30N4O2S.C23H24F2N4OS.C22H25ClN4OS.2C22H23F3N4OS/c1-14-2-5-20-21(26)22(31-24(20)28-14)23(30)27-7-6-17-3-4-19(10-18(17)11-25)29-12-15-8-16(9-15)13-29;1-16-6-9-20-21(25)22(31-24(20)27-16)23(29)26-11-10-17-7-8-19(14-18(17)15-30-2)28-12-4-3-5-13-28;1-12-2-3-16-20(26)21(31-23(16)28-12)22(30)27-5-4-15-8-18(25)19(9-17(15)24)29-10-13-6-14(7-13)11-29;1-14-11-16-19(24)20(29-22(16)26-13-14)21(28)25-8-7-15-5-6-18(17(23)12-15)27-9-3-2-4-10-27;1-12-5-6-14-18(26)20(31-22(14)28-12)21(30)27-8-7-13-11-15(23)19(17(25)16(13)24)29-9-3-2-4-10-29;23-22(24,25)17-9-8-16-18(26)19(31-21(16)28-17)20(30)27-11-10-14-4-6-15(7-5-14)29-12-2-1-3-13-29/h2-5,10,15-16H,6-9,12-13,26H2,1H3,(H,27,30);6-9,14H,3-5,10-13,15,25H2,1-2H3,(H,26,29);2-3,8-9,13-14H,4-7,10-11,26H2,1H3,(H,27,30);5-6,11-13H,2-4,7-10,24H2,1H3,(H,25,28);5-6,11H,2-4,7-10,26H2,1H3,(H,27,30);4-9H,1-3,10-13,26H2,(H,27,30).

What are the key properties of 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-cyanophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2-(methoxymethyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2,3,5-trifluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-cyanophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2-(methoxymethyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2,3,5-trifluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2638.71 g/mol, XLogP of 26.69, 32 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-cyanophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2-(methoxymethyl)-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2,3,5-trifluoro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 158942283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).