3-amino-N-[2-[4-(8-aza-3-azoniatricyclo[3.2.1.03,8]octan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

C114H128F4N23O5S5+ — CID 158796695

About 3-amino-N-[2-[4-(8-aza-3-azoniatricyclo[3.2.1.03,8]octan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[4-(8-aza-3-azoniatricyclo[3.2.1.03,8]octan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 158796695) has the molecular formula C114H128F4N23O5S5+ and a molecular weight of 2136.76 g/mol. Its IUPAC name is 3-amino-N-[2-[4-(8-aza-3-azoniatricyclo[3.2.1.03,8]octan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-[4-(8-aza-3-azoniatricyclo[3.2.1.03,8]octan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 158796695
• Molecular Formula: C114H128F4N23O5S5+
• Molecular Weight: 2136.76 g/mol
• Exact Mass: 2134.90
• IUPAC Name: 3-amino-N-[2-[4-(8-aza-3-azoniatricyclo[3.2.1.03,8]octan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1cc(C(F)F)c2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(-c4cnn5c4CNCC5)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc([N+]45CC6CCC(C4)N65)cc3)sc2n1.Nc1cc(C(F)F)c2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1
• InChI: InChI=1S/C23H26F2N4OS.C23H24N6OS.C23H25N5OS.C23H27N3OS.C22H25F2N5OS/c1-14-13-17(21(24)25)18-19(26)20(31-23(18)28-14)22(30)27-10-9-15-5-7-16(8-6-15)29-11-3-2-4-12-29;1-14-2-7-17-20(24)21(31-23(17)28-14)22(30)26-9-8-15-3-5-16(6-4-15)18-12-27-29-11-10-25-13-19(18)29;1-14-2-9-19-20(24)21(30-23(19)26-14)22(29)25-11-10-15-3-7-18(8-4-15)28-12-16-5-6-17(13-28)27(16)28;1-15-7-12-19-20(24)21(28-23(19)26-15)22(27)25-14-13-16-8-10-18(11-9-16)17-5-3-2-4-6-17;23-20(24)15-12-16(25)28-22-17(15)18(26)19(31-22)21(30)27-9-8-13-4-6-14(7-5-13)29-10-2-1-3-11-29/h5-8,13,21H,2-4,9-12,26H2,1H3,(H,27,30);2-7,12,25H,8-11,13,24H2,1H3,(H,26,30);2-4,7-9,16-17H,5-6,10-13H2,1H3,(H2-,24,25,29);7-12,17H,2-6,13-14,24H2,1H3,(H,25,27);4-7,12,20H,1-3,8-11,26H2,(H2,25,28)(H,27,30)/p+1
• InChIKey: OKBOZEFXCMNMPK-UHFFFAOYSA-O
• XLogP: 21.02
• TPSA: 405.64 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2136.76
LogP ≤ 5	21.02
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[4-(8-aza-3-azoniatricyclo[3.2.1.03,8]octan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-[4-(8-aza-3-azoniatricyclo[3.2.1.03,8]octan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 158796695) is 3-amino-N-[2-[4-(8-aza-3-azoniatricyclo[3.2.1.03,8]octan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-4-(difluoromethyl)-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-(8-aza-3-azoniatricyclo[3.2.1.03,8]octan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-[4-(8-aza-3-azoniatricyclo[3.2.1.03,8]octan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C(F)F)c2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(-c4cnn5c4CNCC5)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc([N+]45CC6CCC(C4)N65)cc3)sc2n1.Nc1cc(C(F)F)c2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.

What is the InChIKey of 3-amino-N-[2-[4-(8-aza-3-azoniatricyclo[3.2.1.03,8]octan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is OKBOZEFXCMNMPK-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H26F2N4OS.C23H24N6OS.C23H25N5OS.C23H27N3OS.C22H25F2N5OS/c1-14-13-17(21(24)25)18-19(26)20(31-23(18)28-14)22(30)27-10-9-15-5-7-16(8-6-15)29-11-3-2-4-12-29;1-14-2-7-17-20(24)21(31-23(17)28-14)22(30)26-9-8-15-3-5-16(6-4-15)18-12-27-29-11-10-25-13-19(18)29;1-14-2-9-19-20(24)21(30-23(19)26-14)22(29)25-11-10-15-3-7-18(8-4-15)28-12-16-5-6-17(13-28)27(16)28;1-15-7-12-19-20(24)21(28-23(19)26-15)22(27)25-14-13-16-8-10-18(11-9-16)17-5-3-2-4-6-17;23-20(24)15-12-16(25)28-22-17(15)18(26)19(31-22)21(30)27-9-8-13-4-6-14(7-5-13)29-10-2-1-3-11-29/h5-8,13,21H,2-4,9-12,26H2,1H3,(H,27,30);2-7,12,25H,8-11,13,24H2,1H3,(H,26,30);2-4,7-9,16-17H,5-6,10-13H2,1H3,(H2-,24,25,29);7-12,17H,2-6,13-14,24H2,1H3,(H,25,27);4-7,12,20H,1-3,8-11,26H2,(H2,25,28)(H,27,30)/p+1.

What are the key properties of 3-amino-N-[2-[4-(8-aza-3-azoniatricyclo[3.2.1.03,8]octan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[2-[4-(8-aza-3-azoniatricyclo[3.2.1.03,8]octan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2136.76 g/mol, XLogP of 21.02, 27 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-[4-(8-aza-3-azoniatricyclo[3.2.1.03,8]octan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 158796695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).