3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide

C117H136ClF2N21O5S5 — CID 159499985

About 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide

3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide (PubChem CID 159499985) has the molecular formula C117H136ClF2N21O5S5 and a molecular weight of 2150.30 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
• PubChem CID: 159499985
• Molecular Formula: C117H136ClF2N21O5S5
• Molecular Weight: 2150.30 g/mol
• Exact Mass: 2147.93
• IUPAC Name: 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
• SMILES: Cc1cc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(Cl)c3)sc2nc1C.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)sc2nc3c(cc12)CCC3.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)sc2nc3c(cc12)CCCC3.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)sc2ncc(C(F)F)cc12.Nc1c(C(=O)NCCc2ccc(N3CCNCC3)cc2)sc2ncc3c(c12)CCC3
• InChI: InChI=1S/C25H30N4OS.C24H28N4OS.C23H27ClN4OS.C23H27N5OS.C22H24F2N4OS/c26-22-20-16-18-6-2-3-7-21(18)28-25(20)31-23(22)24(30)27-13-12-17-8-10-19(11-9-17)29-14-4-1-5-15-29;25-21-19-15-17-5-4-6-20(17)27-24(19)30-22(21)23(29)26-12-11-16-7-9-18(10-8-16)28-13-2-1-3-14-28;1-14-12-17-20(25)21(30-23(17)27-15(14)2)22(29)26-9-8-16-6-7-19(18(24)13-16)28-10-4-3-5-11-28;24-20-19-18-3-1-2-16(18)14-27-23(19)30-21(20)22(29)26-9-8-15-4-6-17(7-5-15)28-12-10-25-11-13-28;23-20(24)15-12-17-18(25)19(30-22(17)27-13-15)21(29)26-9-8-14-4-6-16(7-5-14)28-10-2-1-3-11-28/h8-11,16H,1-7,12-15,26H2,(H,27,30);7-10,15H,1-6,11-14,25H2,(H,26,29);6-7,12-13H,3-5,8-11,25H2,1-2H3,(H,26,29);4-7,14,25H,1-3,8-13,24H2,(H,26,29);4-7,12-13,20H,1-3,8-11,25H2,(H,26,29)
• InChIKey: LZGLOXGRFRWQGP-UHFFFAOYSA-N
• XLogP: 21.69
• TPSA: 368.28 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2150.30
LogP ≤ 5	21.69
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide?

The IUPAC name of 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide (CID 159499985) is 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide.

What is the SMILES notation for 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide?

The canonical SMILES for 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide is Cc1cc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(Cl)c3)sc2nc1C.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)sc2nc3c(cc12)CCC3.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)sc2nc3c(cc12)CCCC3.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)sc2ncc(C(F)F)cc12.Nc1c(C(=O)NCCc2ccc(N3CCNCC3)cc2)sc2ncc3c(c12)CCC3.

What is the InChIKey of 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide?

The InChIKey is LZGLOXGRFRWQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4OS.C24H28N4OS.C23H27ClN4OS.C23H27N5OS.C22H24F2N4OS/c26-22-20-16-18-6-2-3-7-21(18)28-25(20)31-23(22)24(30)27-13-12-17-8-10-19(11-9-17)29-14-4-1-5-15-29;25-21-19-15-17-5-4-6-20(17)27-24(19)30-22(21)23(29)26-12-11-16-7-9-18(10-8-16)28-13-2-1-3-14-28;1-14-12-17-20(25)21(30-23(17)27-15(14)2)22(29)26-9-8-16-6-7-19(18(24)13-16)28-10-4-3-5-11-28;24-20-19-18-3-1-2-16(18)14-27-23(19)30-21(20)22(29)26-9-8-15-4-6-17(7-5-15)28-12-10-25-11-13-28;23-20(24)15-12-17-18(25)19(30-22(17)27-13-15)21(29)26-9-8-14-4-6-16(7-5-14)28-10-2-1-3-11-28/h8-11,16H,1-7,12-15,26H2,(H,27,30);7-10,15H,1-6,11-14,25H2,(H,26,29);6-7,12-13H,3-5,8-11,25H2,1-2H3,(H,26,29);4-7,14,25H,1-3,8-13,24H2,(H,26,29);4-7,12-13,20H,1-3,8-11,25H2,(H,26,29).

What are the key properties of 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide?

3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide has a molecular weight of 2150.30 g/mol, XLogP of 21.69, 26 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-5-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-piperazin-1-ylphenyl)ethyl]-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-4-carboxamide;3-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide is sourced from PubChem (CID 159499985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).