3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(7-piperidin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-4-methyl-1H-indene-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

C139H161ClF5N25O6S5 — CID 158604214

About 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(7-piperidin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-4-methyl-1H-indene-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(7-piperidin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-4-methyl-1H-indene-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 158604214) has the molecular formula C139H161ClF5N25O6S5 and a molecular weight of 2568.76 g/mol. Its IUPAC name is 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(7-piperidin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-4-methyl-1H-indene-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(7-piperidin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-4-methyl-1H-indene-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 158604214
• Molecular Formula: C139H161ClF5N25O6S5
• Molecular Weight: 2568.76 g/mol
• Exact Mass: 2566.13
• IUPAC Name: 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(7-piperidin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-4-methyl-1H-indene-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1cc(C(F)F)c2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.Cc1cc(N)cc2c1C(N)=C(C(=O)NCCc1ccc(N3CCCCC3)c(Cl)c1)C2.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC5CC(C5)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c4c3CCC4)sc2n1.Nc1cc(C(F)F)c2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1
• InChI: InChI=1S/C25H30N4OS.C24H29ClN4O.C23H26F2N4OS.C23H26N4OS.C22H25F2N5OS.C22H25FN4OS/c1-16-8-10-20-22(26)23(31-25(20)28-16)24(30)27-13-12-17-9-11-21(19-7-5-6-18(17)19)29-14-3-2-4-15-29;1-15-11-18(26)13-17-14-19(23(27)22(15)17)24(30)28-8-7-16-5-6-21(20(25)12-16)29-9-3-2-4-10-29;1-14-13-17(21(24)25)18-19(26)20(31-23(18)28-14)22(30)27-10-9-15-5-7-16(8-6-15)29-11-3-2-4-12-29;1-14-2-7-19-20(24)21(29-23(19)26-14)22(28)25-9-8-15-3-5-18(6-4-15)27-12-16-10-17(11-16)13-27;23-20(24)15-12-16(25)28-22-17(15)18(26)19(31-22)21(30)27-9-8-13-4-6-14(7-5-13)29-10-2-1-3-11-29;1-14-5-7-16-19(24)20(29-22(16)26-14)21(28)25-10-9-15-6-8-18(17(23)13-15)27-11-3-2-4-12-27/h8-11H,2-7,12-15,26H2,1H3,(H,27,30);5-6,11-13H,2-4,7-10,14,26-27H2,1H3,(H,28,30);5-8,13,21H,2-4,9-12,26H2,1H3,(H,27,30);2-7,16-17H,8-13,24H2,1H3,(H,25,28);4-7,12,20H,1-3,8-11,26H2,(H2,25,28)(H,27,30);5-8,13H,2-4,9-12,24H2,1H3,(H,25,28)
• InChIKey: HVZZYBDAMRAAII-UHFFFAOYSA-N
• XLogP: 26.19
• TPSA: 466.65 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2568.76
LogP ≤ 5	26.19
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(7-piperidin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-4-methyl-1H-indene-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(7-piperidin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-4-methyl-1H-indene-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 158604214) is 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(7-piperidin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-4-methyl-1H-indene-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(7-piperidin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-4-methyl-1H-indene-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(7-piperidin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-4-methyl-1H-indene-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C(F)F)c2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.Cc1cc(N)cc2c1C(N)=C(C(=O)NCCc1ccc(N3CCCCC3)c(Cl)c1)C2.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC5CC(C5)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c4c3CCC4)sc2n1.Nc1cc(C(F)F)c2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.

What is the InChIKey of 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(7-piperidin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-4-methyl-1H-indene-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is HVZZYBDAMRAAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4OS.C24H29ClN4O.C23H26F2N4OS.C23H26N4OS.C22H25F2N5OS.C22H25FN4OS/c1-16-8-10-20-22(26)23(31-25(20)28-16)24(30)27-13-12-17-9-11-21(19-7-5-6-18(17)19)29-14-3-2-4-15-29;1-15-11-18(26)13-17-14-19(23(27)22(15)17)24(30)28-8-7-16-5-6-21(20(25)12-16)29-9-3-2-4-10-29;1-14-13-17(21(24)25)18-19(26)20(31-23(18)28-14)22(30)27-10-9-15-5-7-16(8-6-15)29-11-3-2-4-12-29;1-14-2-7-19-20(24)21(29-23(19)26-14)22(28)25-9-8-15-3-5-18(6-4-15)27-12-16-10-17(11-16)13-27;23-20(24)15-12-16(25)28-22-17(15)18(26)19(31-22)21(30)27-9-8-13-4-6-14(7-5-13)29-10-2-1-3-11-29;1-14-5-7-16-19(24)20(29-22(16)26-14)21(28)25-10-9-15-6-8-18(17(23)13-15)27-11-3-2-4-12-27/h8-11H,2-7,12-15,26H2,1H3,(H,27,30);5-6,11-13H,2-4,7-10,14,26-27H2,1H3,(H,28,30);5-8,13,21H,2-4,9-12,26H2,1H3,(H,27,30);2-7,16-17H,8-13,24H2,1H3,(H,25,28);4-7,12,20H,1-3,8-11,26H2,(H2,25,28)(H,27,30);5-8,13H,2-4,9-12,24H2,1H3,(H,25,28).

What are the key properties of 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(7-piperidin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-4-methyl-1H-indene-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(7-piperidin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-4-methyl-1H-indene-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2568.76 g/mol, XLogP of 26.19, 32 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(7-piperidin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3,6-diamino-N-[2-(3-chloro-4-piperidin-1-ylphenyl)ethyl]-4-methyl-1H-indene-2-carboxamide;3,6-diamino-4-(difluoromethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 158604214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).