3-amino-N-[2-[4-[(1R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

C115H136N20O5S5 — CID 158994124

About 3-amino-N-[2-[4-[(1R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[4-[(1R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 158994124) has the molecular formula C115H136N20O5S5 and a molecular weight of 2038.82 g/mol. Its IUPAC name is 3-amino-N-[2-[4-[(1R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-[4-[(1R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 158994124
• Molecular Formula: C115H136N20O5S5
• Molecular Weight: 2038.82 g/mol
• Exact Mass: 2036.96
• IUPAC Name: 3-amino-N-[2-[4-[(1R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC5CC[C@@H]4C5)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCC[C@@H]4C)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCC[C@H]4C)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC[C@H](C)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4C[C@@H]5CC[C@H]4C5)cc3)sc2n1
• InChI: InChI=1S/2C23H26N4OS.3C23H28N4OS/c2*1-14-2-9-19-20(24)21(29-23(19)26-14)22(28)25-11-10-15-3-6-17(7-4-15)27-13-16-5-8-18(27)12-16;1-15-4-3-13-27(14-15)18-8-6-17(7-9-18)11-12-25-22(28)21-20(24)19-10-5-16(2)26-23(19)29-21;2*1-15-6-11-19-20(24)21(29-23(19)26-15)22(28)25-13-12-17-7-9-18(10-8-17)27-14-4-3-5-16(27)2/h2*2-4,6-7,9,16,18H,5,8,10-13,24H2,1H3,(H,25,28);5-10,15H,3-4,11-14,24H2,1-2H3,(H,25,28);2*6-11,16H,3-5,12-14,24H2,1-2H3,(H,25,28)/t16?,18-;16-,18+;15-;2*16-/m11010/s1
• InChIKey: JQNJRILJQRMJDA-AUSWWRSWSA-N
• XLogP: 21.77
• TPSA: 356.25 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2038.82
LogP ≤ 5	21.77
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

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-[(1R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-[4-[(1R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 158994124) is 3-amino-N-[2-[4-[(1R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-[4-[(1R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-[4-[(1R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC5CC[C@@H]4C5)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCC[C@@H]4C)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCC[C@H]4C)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC[C@H](C)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4C[C@@H]5CC[C@H]4C5)cc3)sc2n1.

What is the InChIKey of 3-amino-N-[2-[4-[(1R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is JQNJRILJQRMJDA-AUSWWRSWSA-N. The full InChI is InChI=1S/2C23H26N4OS.3C23H28N4OS/c2*1-14-2-9-19-20(24)21(29-23(19)26-14)22(28)25-11-10-15-3-6-17(7-4-15)27-13-16-5-8-18(27)12-16;1-15-4-3-13-27(14-15)18-8-6-17(7-9-18)11-12-25-22(28)21-20(24)19-10-5-16(2)26-23(19)29-21;2*1-15-6-11-19-20(24)21(29-23(19)26-15)22(28)25-13-12-17-7-9-18(10-8-17)27-14-4-3-5-16(27)2/h2*2-4,6-7,9,16,18H,5,8,10-13,24H2,1H3,(H,25,28);5-10,15H,3-4,11-14,24H2,1-2H3,(H,25,28);2*6-11,16H,3-5,12-14,24H2,1-2H3,(H,25,28)/t16?,18-;16-,18+;15-;2*16-/m11010/s1.

What are the key properties of 3-amino-N-[2-[4-[(1R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[2-[4-[(1R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2038.82 g/mol, XLogP of 21.77, 25 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-[4-[(1R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 158994124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).