bis(3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide);3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

C115H138F2N22O6S5 — CID 161498591

About bis(3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide);3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

bis(3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide);3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 161498591) has the molecular formula C115H138F2N22O6S5 and a molecular weight of 2122.85 g/mol. Its IUPAC name is bis(3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide);3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: bis(3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide);3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 161498591
• Molecular Formula: C115H138F2N22O6S5
• Molecular Weight: 2122.85 g/mol
• Exact Mass: 2120.97
• IUPAC Name: bis(3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide);3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CNc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCCC4)cc3)sc2n1.CNc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCCC4)cc3)sc2n1.CNc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCN(C)CC4)cc3)sc2n1.Cc1nc2sc(C(=O)NCCc3ccc(N4CCCCC4)cc3)c(N)c2cc1C1CC1.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)sc2nc(OC(F)F)ccc12
• InChI: InChI=1S/C25H30N4OS.2C23H28N4OS.C22H24F2N4O2S.C22H28N6OS/c1-16-20(18-7-8-18)15-21-22(26)23(31-25(21)28-16)24(30)27-12-11-17-5-9-19(10-6-17)29-13-3-2-4-14-29;2*1-25-19-12-11-18-20(24)21(29-23(18)27-19)22(28)26-14-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16;23-22(24)30-17-9-8-16-18(25)19(31-21(16)27-17)20(29)26-11-10-14-4-6-15(7-5-14)28-12-2-1-3-13-28;1-24-18-8-7-17-19(23)20(30-22(17)26-18)21(29)25-10-9-15-3-5-16(6-4-15)28-13-11-27(2)12-14-28/h5-6,9-10,15,18H,2-4,7-8,11-14,26H2,1H3,(H,27,30);2*7-12,16H,2-6,13-14,24H2,1H3,(H,25,27)(H,26,28);4-9,22H,1-3,10-13,25H2,(H,26,29);3-8H,9-14,23H2,1-2H3,(H,24,26)(H,25,29)
• InChIKey: WGNSJQZGWQTNDR-UHFFFAOYSA-N
• XLogP: 22.00
• TPSA: 398.33 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2122.85
LogP ≤ 5	22.00
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide);3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of bis(3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide);3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 161498591) is bis(3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide);3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for bis(3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide);3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for bis(3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide);3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is CNc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCCC4)cc3)sc2n1.CNc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCCC4)cc3)sc2n1.CNc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCN(C)CC4)cc3)sc2n1.Cc1nc2sc(C(=O)NCCc3ccc(N4CCCCC4)cc3)c(N)c2cc1C1CC1.Nc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)sc2nc(OC(F)F)ccc12.

What is the InChIKey of bis(3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide);3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is WGNSJQZGWQTNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4OS.2C23H28N4OS.C22H24F2N4O2S.C22H28N6OS/c1-16-20(18-7-8-18)15-21-22(26)23(31-25(21)28-16)24(30)27-12-11-17-5-9-19(10-6-17)29-13-3-2-4-14-29;2*1-25-19-12-11-18-20(24)21(29-23(18)27-19)22(28)26-14-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16;23-22(24)30-17-9-8-16-18(25)19(31-21(16)27-17)20(29)26-11-10-14-4-6-15(7-5-14)28-12-2-1-3-13-28;1-24-18-8-7-17-19(23)20(30-22(17)26-18)21(29)25-10-9-15-3-5-16(6-4-15)28-13-11-27(2)12-14-28/h5-6,9-10,15,18H,2-4,7-8,11-14,26H2,1H3,(H,27,30);2*7-12,16H,2-6,13-14,24H2,1H3,(H,25,27)(H,26,28);4-9,22H,1-3,10-13,25H2,(H,26,29);3-8H,9-14,23H2,1-2H3,(H,24,26)(H,25,29).

What are the key properties of bis(3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide);3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

bis(3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide);3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2122.85 g/mol, XLogP of 22.00, 31 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-amino-N-[2-(4-cyclohexylphenyl)ethyl]-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide);3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(difluoromethoxy)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(methylamino)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 161498591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).