3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-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

C144H157F15N24O6S6 — CID 161232932

About 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-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[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-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 161232932) has the molecular formula C144H157F15N24O6S6 and a molecular weight of 2797.37 g/mol. Its IUPAC name is 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-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[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-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: 161232932
• Molecular Formula: C144H157F15N24O6S6
• Molecular Weight: 2797.37 g/mol
• Exact Mass: 2795.08
• IUPAC Name: 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-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(N2CC3CCC(C3)C2)cc1F.C[C@H](CNC(=O)c1sc2ncc(F)cc2c1N)c1cc(F)c(N2CC3CCC(C3)C2)cc1F.Cc1ccc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3cc(F)c(N4CC5CCC(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/C25H28F2N4OS.C25H29FN4OS.2C24H25F3N4OS.2C23H25F3N4OS/c1-13(10-29-24(32)23-22(28)17-6-3-14(2)30-25(17)33-23)18-8-20(27)21(9-19(18)26)31-11-15-4-5-16(7-15)12-31;1-14(11-28-24(31)23-22(27)20-7-3-15(2)29-25(20)32-23)19-8-6-18(10-21(19)26)30-12-16-4-5-17(9-16)13-30;2*1-12(8-29-23(32)22-21(28)17-5-15(25)9-30-24(17)33-22)16-6-19(27)20(7-18(16)26)31-10-13-2-3-14(4-13)11-31;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/h3,6,8-9,13,15-16H,4-5,7,10-12,28H2,1-2H3,(H,29,32);3,6-8,10,14,16-17H,4-5,9,11-13,27H2,1-2H3,(H,28,31);2*5-7,9,12-14H,2-4,8,10-11,28H2,1H3,(H,29,32);2*8-10,12H,3-7,11,27H2,1-2H3,(H,28,31)/t13-,15?,16?;14-,16?,17?;2*12-,13?,14?;2*12-/m011010/s1
• InChIKey: UYZMDFXAQRWZJI-HSWMZYPISA-N
• XLogP: 30.72
• TPSA: 427.50 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2797.37
LogP ≤ 5	30.72
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[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-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[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-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 161232932) is 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-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[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-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[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-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(N2CC3CCC(C3)C2)cc1F.C[C@H](CNC(=O)c1sc2ncc(F)cc2c1N)c1cc(F)c(N2CC3CCC(C3)C2)cc1F.Cc1ccc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3cc(F)c(N4CC5CCC(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[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-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 UYZMDFXAQRWZJI-HSWMZYPISA-N. The full InChI is InChI=1S/C25H28F2N4OS.C25H29FN4OS.2C24H25F3N4OS.2C23H25F3N4OS/c1-13(10-29-24(32)23-22(28)17-6-3-14(2)30-25(17)33-23)18-8-20(27)21(9-19(18)26)31-11-15-4-5-16(7-15)12-31;1-14(11-28-24(31)23-22(27)20-7-3-15(2)29-25(20)32-23)19-8-6-18(10-21(19)26)30-12-16-4-5-17(9-16)13-30;2*1-12(8-29-23(32)22-21(28)17-5-15(25)9-30-24(17)33-22)16-6-19(27)20(7-18(16)26)31-10-13-2-3-14(4-13)11-31;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/h3,6,8-9,13,15-16H,4-5,7,10-12,28H2,1-2H3,(H,29,32);3,6-8,10,14,16-17H,4-5,9,11-13,27H2,1-2H3,(H,28,31);2*5-7,9,12-14H,2-4,8,10-11,28H2,1H3,(H,29,32);2*8-10,12H,3-7,11,27H2,1-2H3,(H,28,31)/t13-,15?,16?;14-,16?,17?;2*12-,13?,14?;2*12-/m011010/s1.

What are the key properties of 3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-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[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-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 2797.37 g/mol, XLogP of 30.72, 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[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-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 161232932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).