3-amino-5-chloro-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,6-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-2-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C108H111Cl3F4N24O5S5 — CID 158948383

About 3-amino-5-chloro-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,6-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-2-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-5-chloro-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,6-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-2-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 158948383) has the molecular formula C108H111Cl3F4N24O5S5 and a molecular weight of 2167.92 g/mol. Its IUPAC name is 3-amino-5-chloro-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,6-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-2-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-5-chloro-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,6-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-2-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 158948383
• Molecular Formula: C108H111Cl3F4N24O5S5
• Molecular Weight: 2167.92 g/mol
• Exact Mass: 2164.68
• IUPAC Name: 3-amino-5-chloro-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,6-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-2-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)NCCc3c(F)cc(N4CCCCC4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(-n4ncc5c4CNC5)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(-n4ncc5c4CNC5)cc3F)sc2n1.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)c(Cl)c2)sc2ncc(Cl)cc12.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)c(Cl)c2)sc2ncc(F)cc12
• InChI: InChI=1S/C22H24F2N4OS.C22H21FN6OS.C22H22N6OS.C21H22Cl2N4OS.C21H22ClFN4OS/c1-13-5-6-16-19(25)20(30-22(16)27-13)21(29)26-8-7-15-17(23)11-14(12-18(15)24)28-9-3-2-4-10-28;1-12-2-5-16-19(24)20(31-22(16)28-12)21(30)26-7-6-13-3-4-15(8-17(13)23)29-18-11-25-9-14(18)10-27-29;1-13-2-7-17-19(23)20(30-22(17)27-13)21(29)25-9-8-14-3-5-16(6-4-14)28-18-12-24-10-15(18)11-26-28;22-14-11-15-18(24)19(29-21(15)26-12-14)20(28)25-7-6-13-4-5-17(16(23)10-13)27-8-2-1-3-9-27;22-16-10-13(4-5-17(16)27-8-2-1-3-9-27)6-7-25-20(28)19-18(24)15-11-14(23)12-26-21(15)29-19/h5-6,11-12H,2-4,7-10,25H2,1H3,(H,26,29);2-5,8,10,25H,6-7,9,11,24H2,1H3,(H,26,30);2-7,11,24H,8-10,12,23H2,1H3,(H,25,29);2*4-5,10-12H,1-3,6-9,24H2,(H,25,28)
• InChIKey: JLCPWENLIIEWON-UHFFFAOYSA-N
• XLogP: 20.25
• TPSA: 409.47 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2167.92
LogP ≤ 5	20.25
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,6-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-2-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-5-chloro-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,6-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-2-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 158948383) is 3-amino-5-chloro-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,6-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-2-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-5-chloro-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,6-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-2-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-5-chloro-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,6-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-2-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCCc3c(F)cc(N4CCCCC4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(-n4ncc5c4CNC5)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(-n4ncc5c4CNC5)cc3F)sc2n1.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)c(Cl)c2)sc2ncc(Cl)cc12.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)c(Cl)c2)sc2ncc(F)cc12.

What is the InChIKey of 3-amino-5-chloro-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,6-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-2-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is JLCPWENLIIEWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4OS.C22H21FN6OS.C22H22N6OS.C21H22Cl2N4OS.C21H22ClFN4OS/c1-13-5-6-16-19(25)20(30-22(16)27-13)21(29)26-8-7-15-17(23)11-14(12-18(15)24)28-9-3-2-4-10-28;1-12-2-5-16-19(24)20(31-22(16)28-12)21(30)26-7-6-13-3-4-15(8-17(13)23)29-18-11-25-9-14(18)10-27-29;1-13-2-7-17-19(23)20(30-22(17)27-13)21(29)25-9-8-14-3-5-16(6-4-14)28-18-12-24-10-15(18)11-26-28;22-14-11-15-18(24)19(29-21(15)26-12-14)20(28)25-7-6-13-4-5-17(16(23)10-13)27-8-2-1-3-9-27;22-16-10-13(4-5-17(16)27-8-2-1-3-9-27)6-7-25-20(28)19-18(24)15-11-14(23)12-26-21(15)29-19/h5-6,11-12H,2-4,7-10,25H2,1H3,(H,26,29);2-5,8,10,25H,6-7,9,11,24H2,1H3,(H,26,30);2-7,11,24H,8-10,12,23H2,1H3,(H,25,29);2*4-5,10-12H,1-3,6-9,24H2,(H,25,28).

What are the key properties of 3-amino-5-chloro-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,6-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-2-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-5-chloro-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,6-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-2-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2167.92 g/mol, XLogP of 20.25, 25 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-chloro-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5-fluorothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,6-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-2-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 158948383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).