3-amino-N-[2-[2,5-difluoro-4-[(3R,4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C113H126F12N22O5S5 — CID 159277730

About 3-amino-N-[2-[2,5-difluoro-4-[(3R,4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[2,5-difluoro-4-[(3R,4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 159277730) has the molecular formula C113H126F12N22O5S5 and a molecular weight of 2260.71 g/mol. Its IUPAC name is 3-amino-N-[2-[2,5-difluoro-4-[(3R,4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-[2,5-difluoro-4-[(3R,4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 159277730
• Molecular Formula: C113H126F12N22O5S5
• Molecular Weight: 2260.71 g/mol
• Exact Mass: 2258.87
• IUPAC Name: 3-amino-N-[2-[2,5-difluoro-4-[(3R,4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CN[C@@H]1CN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C[C@@H]1F.CN[C@H]1CN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C[C@H]1F.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCC[C@@H](C)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCC[C@H](C)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3cc(F)c(N4CCCCC4)cc3F)sc2n1
• InChI: InChI=1S/3C23H26F2N4OS.2C22H24F3N5OS/c2*1-13-4-3-9-29(12-13)19-11-17(24)15(10-18(19)25)7-8-27-22(30)21-20(26)16-6-5-14(2)28-23(16)31-21;1-13(16-10-18(25)19(11-17(16)24)29-8-4-3-5-9-29)12-27-22(30)21-20(26)15-7-6-14(2)28-23(15)31-21;2*1-11-3-4-13-19(26)20(32-22(13)29-11)21(31)28-6-5-12-7-15(24)18(8-14(12)23)30-9-16(25)17(10-30)27-2/h2*5-6,10-11,13H,3-4,7-9,12,26H2,1-2H3,(H,27,30);6-7,10-11,13H,3-5,8-9,12,26H2,1-2H3,(H,27,30);2*3-4,7-8,16-17,27H,5-6,9-10,26H2,1-2H3,(H,28,31)/t3*13-;2*16-,17+/m10010/s1
• InChIKey: KYNHHFNJWVBMDQ-MBXUNFJMSA-N
• XLogP: 20.70
• TPSA: 380.31 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2260.71
LogP ≤ 5	20.70
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[2,5-difluoro-4-[(3R,4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-[2,5-difluoro-4-[(3R,4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 159277730) is 3-amino-N-[2-[2,5-difluoro-4-[(3R,4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-[2,5-difluoro-4-[(3R,4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-[2,5-difluoro-4-[(3R,4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is CN[C@@H]1CN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C[C@@H]1F.CN[C@H]1CN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C[C@H]1F.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCC[C@@H](C)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCC[C@H](C)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3cc(F)c(N4CCCCC4)cc3F)sc2n1.

What is the InChIKey of 3-amino-N-[2-[2,5-difluoro-4-[(3R,4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is KYNHHFNJWVBMDQ-MBXUNFJMSA-N. The full InChI is InChI=1S/3C23H26F2N4OS.2C22H24F3N5OS/c2*1-13-4-3-9-29(12-13)19-11-17(24)15(10-18(19)25)7-8-27-22(30)21-20(26)16-6-5-14(2)28-23(16)31-21;1-13(16-10-18(25)19(11-17(16)24)29-8-4-3-5-9-29)12-27-22(30)21-20(26)15-7-6-14(2)28-23(15)31-21;2*1-11-3-4-13-19(26)20(32-22(13)29-11)21(31)28-6-5-12-7-15(24)18(8-14(12)23)30-9-16(25)17(10-30)27-2/h2*5-6,10-11,13H,3-4,7-9,12,26H2,1-2H3,(H,27,30);6-7,10-11,13H,3-5,8-9,12,26H2,1-2H3,(H,27,30);2*3-4,7-8,16-17,27H,5-6,9-10,26H2,1-2H3,(H,28,31)/t3*13-;2*16-,17+/m10010/s1.

What are the key properties of 3-amino-N-[2-[2,5-difluoro-4-[(3R,4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[2-[2,5-difluoro-4-[(3R,4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2260.71 g/mol, XLogP of 20.70, 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-[2,5-difluoro-4-[(3R,4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-2-(2,5-difluoro-4-piperidin-1-ylphenyl)propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 159277730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).