3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide

C140H150F14N24O6S6 — CID 159461797

About 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 159461797) has the molecular formula C140H150F14N24O6S6 and a molecular weight of 2723.28 g/mol. Its IUPAC name is 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 159461797
• Molecular Formula: C140H150F14N24O6S6
• Molecular Weight: 2723.28 g/mol
• Exact Mass: 2721.03
• IUPAC Name: 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: C[C@@H](CNC(=O)c1sc2ncc(F)cc2c1N)c1cc(F)c(N2CC3CC(C3)C2)cc1F.C[C@H](CNC(=O)c1sc2ncc(F)cc2c1N)c1cc(F)c(N2CC3CC(C3)C2)cc1F.Cc1ccc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CC(C5)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CC(C5)C4)cc3F)sc2n1.Cc1nc2sc(C(=O)NC[C@@H](C)c3cc(F)c(N4CCCCC4)cc3F)c(N)c2cc1F.Cc1nc2sc(C(=O)NC[C@H](C)c3cc(F)c(N4CCCCC4)cc3F)c(N)c2cc1F
• InChI: InChI=1S/2C24H27FN4OS.2C23H23F3N4OS.2C23H25F3N4OS/c2*1-13(10-27-23(30)22-21(26)19-5-3-14(2)28-24(19)31-22)18-6-4-17(9-20(18)25)29-11-15-7-16(8-15)12-29;2*1-11(7-28-22(31)21-20(27)16-4-14(24)8-29-23(16)32-21)15-5-18(26)19(6-17(15)25)30-9-12-2-13(3-12)10-30;2*1-12(14-8-18(26)19(10-17(14)25)30-6-4-3-5-7-30)11-28-22(31)21-20(27)15-9-16(24)13(2)29-23(15)32-21/h2*3-6,9,13,15-16H,7-8,10-12,26H2,1-2H3,(H,27,30);2*4-6,8,11-13H,2-3,7,9-10,27H2,1H3,(H,28,31);2*8-10,12H,3-7,11,27H2,1-2H3,(H,28,31)/t2*13-,15?,16?;2*11-,12?,13?;2*12-/m101010/s1
• InChIKey: LURIVGNEONKQBJ-DVSDAAPGSA-N
• XLogP: 29.02
• TPSA: 427.50 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2723.28
LogP ≤ 5	29.02
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 159461797) is 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide is C[C@@H](CNC(=O)c1sc2ncc(F)cc2c1N)c1cc(F)c(N2CC3CC(C3)C2)cc1F.C[C@H](CNC(=O)c1sc2ncc(F)cc2c1N)c1cc(F)c(N2CC3CC(C3)C2)cc1F.Cc1ccc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CC(C5)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CC(C5)C4)cc3F)sc2n1.Cc1nc2sc(C(=O)NC[C@@H](C)c3cc(F)c(N4CCCCC4)cc3F)c(N)c2cc1F.Cc1nc2sc(C(=O)NC[C@H](C)c3cc(F)c(N4CCCCC4)cc3F)c(N)c2cc1F.

What is the InChIKey of 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is LURIVGNEONKQBJ-DVSDAAPGSA-N. The full InChI is InChI=1S/2C24H27FN4OS.2C23H23F3N4OS.2C23H25F3N4OS/c2*1-13(10-27-23(30)22-21(26)19-5-3-14(2)28-24(19)31-22)18-6-4-17(9-20(18)25)29-11-15-7-16(8-15)12-29;2*1-11(7-28-22(31)21-20(27)16-4-14(24)8-29-23(16)32-21)15-5-18(26)19(6-17(15)25)30-9-12-2-13(3-12)10-30;2*1-12(14-8-18(26)19(10-17(14)25)30-6-4-3-5-7-30)11-28-22(31)21-20(27)15-9-16(24)13(2)29-23(15)32-21/h2*3-6,9,13,15-16H,7-8,10-12,26H2,1-2H3,(H,27,30);2*4-6,8,11-13H,2-3,7,9-10,27H2,1H3,(H,28,31);2*8-10,12H,3-7,11,27H2,1-2H3,(H,28,31)/t2*13-,15?,16?;2*11-,12?,13?;2*12-/m101010/s1.

What are the key properties of 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2723.28 g/mol, XLogP of 29.02, 30 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 159461797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).