3-amino-N-[2-[4-(3-azabicyclo[3.2.1]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

C70H81F2N11O3S3 — CID 158178516

About 3-amino-N-[2-[4-(3-azabicyclo[3.2.1]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-N-[2-[4-(3-azabicyclo[3.2.1]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 (PubChem CID 158178516) has the molecular formula C70H81F2N11O3S3 and a molecular weight of 1258.69 g/mol. Its IUPAC name is 3-amino-N-[2-[4-(3-azabicyclo[3.2.1]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.

Molecular Properties

• Compound Name: 3-amino-N-[2-[4-(3-azabicyclo[3.2.1]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
• PubChem CID: 158178516
• Molecular Formula: C70H81F2N11O3S3
• Molecular Weight: 1258.69 g/mol
• Exact Mass: 1257.57
• IUPAC Name: 3-amino-N-[2-[4-(3-azabicyclo[3.2.1]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
• SMILES: Cc1cc(C(F)F)c2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C5)C4)cc3)sc2n1
• InChI: InChI=1S/C24H28N4OS.C23H26F2N4OS.C23H27N3OS/c1-15-2-9-20-21(25)22(30-24(20)27-15)23(29)26-11-10-16-5-7-19(8-6-16)28-13-17-3-4-18(12-17)14-28;1-14-13-17(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;1-15-7-12-19-20(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/h2,5-9,17-18H,3-4,10-14,25H2,1H3,(H,26,29);5-8,13,21H,2-4,9-12,26H2,1H3,(H,27,30);7-12,17H,2-6,13-14,24H2,1H3,(H,25,27)
• InChIKey: FYHDVESFSXHLCR-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 210.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1258.69
LogP ≤ 5	14.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

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-azabicyclo[3.2.1]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?

The IUPAC name of 3-amino-N-[2-[4-(3-azabicyclo[3.2.1]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 (CID 158178516) is 3-amino-N-[2-[4-(3-azabicyclo[3.2.1]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.

What is the SMILES notation for 3-amino-N-[2-[4-(3-azabicyclo[3.2.1]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?

The canonical SMILES for 3-amino-N-[2-[4-(3-azabicyclo[3.2.1]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 is Cc1cc(C(F)F)c2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCCC4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC5CCC(C5)C4)cc3)sc2n1.

What is the InChIKey of 3-amino-N-[2-[4-(3-azabicyclo[3.2.1]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?

The InChIKey is FYHDVESFSXHLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS.C23H26F2N4OS.C23H27N3OS/c1-15-2-9-20-21(25)22(30-24(20)27-15)23(29)26-11-10-16-5-7-19(8-6-16)28-13-17-3-4-18(12-17)14-28;1-14-13-17(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;1-15-7-12-19-20(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/h2,5-9,17-18H,3-4,10-14,25H2,1H3,(H,26,29);5-8,13,21H,2-4,9-12,26H2,1H3,(H,27,30);7-12,17H,2-6,13-14,24H2,1H3,(H,25,27).

What are the key properties of 3-amino-N-[2-[4-(3-azabicyclo[3.2.1]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-N-[2-[4-(3-azabicyclo[3.2.1]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 has a molecular weight of 1258.69 g/mol, XLogP of 14.69, 16 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-[4-(3-azabicyclo[3.2.1]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 is sourced from PubChem (CID 158178516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).