3-amino-N-[2-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide

C112H124F10N22O6S5 — CID 157335929

About 3-amino-N-[2-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide (PubChem CID 157335929) has the molecular formula C112H124F10N22O6S5 and a molecular weight of 2224.69 g/mol. Its IUPAC name is 3-amino-N-[2-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 157335929
• Molecular Formula: C112H124F10N22O6S5
• Molecular Weight: 2224.69 g/mol
• Exact Mass: 2222.85
• IUPAC Name: 3-amino-N-[2-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide
• SMILES: CCc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.CN[C@@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.CN[C@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.COc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4C[C@H]5CC[C@@H]4C5)cc3F)sc2n1
• InChI: InChI=1S/C23H24F2N4OS.C23H26F2N4OS.2C22H25F2N5OS.C22H24F2N4O2S/c1-12-2-5-16-20(26)21(31-23(16)28-12)22(30)27-7-6-14-9-18(25)19(10-17(14)24)29-11-13-3-4-15(29)8-13;1-2-15-6-7-16-20(26)21(31-23(16)28-15)22(30)27-9-8-14-12-18(25)19(13-17(14)24)29-10-4-3-5-11-29;2*1-12-3-4-15-19(25)20(31-22(15)28-12)21(30)27-7-5-13-9-17(24)18(10-16(13)23)29-8-6-14(11-29)26-2;1-30-18-6-5-14-19(25)20(31-22(14)27-18)21(29)26-8-7-13-11-16(24)17(12-15(13)23)28-9-3-2-4-10-28/h2,5,9-10,13,15H,3-4,6-8,11,26H2,1H3,(H,27,30);6-7,12-13H,2-5,8-11,26H2,1H3,(H,27,30);2*3-4,9-10,14,26H,5-8,11,25H2,1-2H3,(H,27,30);5-6,11-12H,2-4,7-10,25H2,1H3,(H,26,29)/t13-,15+;;2*14-;/m0.10./s1
• InChIKey: BFVLIKZYKIXXIW-FUWSUSSNSA-N
• XLogP: 19.71
• TPSA: 389.54 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2224.69
LogP ≤ 5	19.71
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide (CID 157335929) is 3-amino-N-[2-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide is CCc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.CN[C@@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.CN[C@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.COc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4C[C@H]5CC[C@@H]4C5)cc3F)sc2n1.

What is the InChIKey of 3-amino-N-[2-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is BFVLIKZYKIXXIW-FUWSUSSNSA-N. The full InChI is InChI=1S/C23H24F2N4OS.C23H26F2N4OS.2C22H25F2N5OS.C22H24F2N4O2S/c1-12-2-5-16-20(26)21(31-23(16)28-12)22(30)27-7-6-14-9-18(25)19(10-17(14)24)29-11-13-3-4-15(29)8-13;1-2-15-6-7-16-20(26)21(31-23(16)28-15)22(30)27-9-8-14-12-18(25)19(13-17(14)24)29-10-4-3-5-11-29;2*1-12-3-4-15-19(25)20(31-22(15)28-12)21(30)27-7-5-13-9-17(24)18(10-16(13)23)29-8-6-14(11-29)26-2;1-30-18-6-5-14-19(25)20(31-22(14)27-18)21(29)26-8-7-13-11-16(24)17(12-15(13)23)28-9-3-2-4-10-28/h2,5,9-10,13,15H,3-4,6-8,11,26H2,1H3,(H,27,30);6-7,12-13H,2-5,8-11,26H2,1H3,(H,27,30);2*3-4,9-10,14,26H,5-8,11,25H2,1-2H3,(H,27,30);5-6,11-12H,2-4,7-10,25H2,1H3,(H,26,29)/t13-,15+;;2*14-;/m0.10./s1.

What are the key properties of 3-amino-N-[2-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[2-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2224.69 g/mol, XLogP of 19.71, 29 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 157335929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).