3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2-methyl-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-6-methyl-N-[3-(4-piperidin-1-ylphenyl)cyclobutyl]thieno[2,3-b]pyridine-2-carboxamide);3-amino-6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

C137H159FN24O7S6 — CID 157266666

About 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2-methyl-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-6-methyl-N-[3-(4-piperidin-1-ylphenyl)cyclobutyl]thieno[2,3-b]pyridine-2-carboxamide);3-amino-6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2-methyl-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-6-methyl-N-[3-(4-piperidin-1-ylphenyl)cyclobutyl]thieno[2,3-b]pyridine-2-carboxamide);3-amino-6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 157266666) has the molecular formula C137H159FN24O7S6 and a molecular weight of 2465.34 g/mol. Its IUPAC name is 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2-methyl-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-6-methyl-N-[3-(4-piperidin-1-ylphenyl)cyclobutyl]thieno[2,3-b]pyridine-2-carboxamide);3-amino-6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)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)-3-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2-methyl-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-6-methyl-N-[3-(4-piperidin-1-ylphenyl)cyclobutyl]thieno[2,3-b]pyridine-2-carboxamide);3-amino-6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 157266666
• Molecular Formula: C137H159FN24O7S6
• Molecular Weight: 2465.34 g/mol
• Exact Mass: 2463.11
• IUPAC Name: 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2-methyl-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-6-methyl-N-[3-(4-piperidin-1-ylphenyl)cyclobutyl]thieno[2,3-b]pyridine-2-carboxamide);3-amino-6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)NC3CC(c4ccc(N5CCCCC5)cc4)C3)sc2n1.Cc1ccc2c(N)c(C(=O)NC3CC(c4ccc(N5CCCCC5)cc4)C3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC5CC(C5)C4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3C)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC[C@@H](CO)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc4c(c3)CNCC4)sc2n1
• InChI: InChI=1S/2C24H28N4OS.C23H25FN4OS.C23H28N4O2S.C23H28N4OS.C20H22N4OS/c2*1-15-5-10-20-21(25)22(30-24(20)26-15)23(29)27-18-13-17(14-18)16-6-8-19(9-7-16)28-11-3-2-4-12-28;1-13-2-4-17-20(25)21(30-23(17)27-13)22(29)26-7-6-14-3-5-19(18(24)10-14)28-11-15-8-16(9-15)12-28;1-15-4-9-19-20(24)21(30-23(19)26-15)22(29)25-11-10-16-5-7-18(8-6-16)27-12-2-3-17(13-27)14-28;1-15-14-18(27-12-4-3-5-13-27)8-7-17(15)10-11-25-22(28)21-20(24)19-9-6-16(2)26-23(19)29-21;1-12-2-5-16-17(21)18(26-20(16)24-12)19(25)23-9-6-13-3-4-14-7-8-22-11-15(14)10-13/h2*5-10,17-18H,2-4,11-14,25H2,1H3,(H,27,29);2-5,10,15-16H,6-9,11-12,25H2,1H3,(H,26,29);4-9,17,28H,2-3,10-14,24H2,1H3,(H,25,29);6-9,14H,3-5,10-13,24H2,1-2H3,(H,25,28);2-5,10,22H,6-9,11,21H2,1H3,(H,23,25)/t;;;17-;;/m...1../s1
• InChIKey: AYBOQCKXQLUMCO-NIXFMSLKSA-N
• XLogP: 24.48
• TPSA: 456.52 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2465.34
LogP ≤ 5	24.48
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	31

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-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2-methyl-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-6-methyl-N-[3-(4-piperidin-1-ylphenyl)cyclobutyl]thieno[2,3-b]pyridine-2-carboxamide);3-amino-6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)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)-3-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2-methyl-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-6-methyl-N-[3-(4-piperidin-1-ylphenyl)cyclobutyl]thieno[2,3-b]pyridine-2-carboxamide);3-amino-6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 157266666) is 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2-methyl-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-6-methyl-N-[3-(4-piperidin-1-ylphenyl)cyclobutyl]thieno[2,3-b]pyridine-2-carboxamide);3-amino-6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)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)-3-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2-methyl-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-6-methyl-N-[3-(4-piperidin-1-ylphenyl)cyclobutyl]thieno[2,3-b]pyridine-2-carboxamide);3-amino-6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)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)-3-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2-methyl-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-6-methyl-N-[3-(4-piperidin-1-ylphenyl)cyclobutyl]thieno[2,3-b]pyridine-2-carboxamide);3-amino-6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NC3CC(c4ccc(N5CCCCC5)cc4)C3)sc2n1.Cc1ccc2c(N)c(C(=O)NC3CC(c4ccc(N5CCCCC5)cc4)C3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC5CC(C5)C4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3C)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC[C@@H](CO)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc4c(c3)CNCC4)sc2n1.

What is the InChIKey of 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2-methyl-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-6-methyl-N-[3-(4-piperidin-1-ylphenyl)cyclobutyl]thieno[2,3-b]pyridine-2-carboxamide);3-amino-6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is AYBOQCKXQLUMCO-NIXFMSLKSA-N. The full InChI is InChI=1S/2C24H28N4OS.C23H25FN4OS.C23H28N4O2S.C23H28N4OS.C20H22N4OS/c2*1-15-5-10-20-21(25)22(30-24(20)26-15)23(29)27-18-13-17(14-18)16-6-8-19(9-7-16)28-11-3-2-4-12-28;1-13-2-4-17-20(25)21(30-23(17)27-13)22(29)26-7-6-14-3-5-19(18(24)10-14)28-11-15-8-16(9-15)12-28;1-15-4-9-19-20(24)21(30-23(19)26-15)22(29)25-11-10-16-5-7-18(8-6-16)27-12-2-3-17(13-27)14-28;1-15-14-18(27-12-4-3-5-13-27)8-7-17(15)10-11-25-22(28)21-20(24)19-9-6-16(2)26-23(19)29-21;1-12-2-5-16-17(21)18(26-20(16)24-12)19(25)23-9-6-13-3-4-14-7-8-22-11-15(14)10-13/h2*5-10,17-18H,2-4,11-14,25H2,1H3,(H,27,29);2-5,10,15-16H,6-9,11-12,25H2,1H3,(H,26,29);4-9,17,28H,2-3,10-14,24H2,1H3,(H,25,29);6-9,14H,3-5,10-13,24H2,1-2H3,(H,25,28);2-5,10,22H,6-9,11,21H2,1H3,(H,23,25)/t;;;17-;;/m...1../s1.

What are the key properties of 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2-methyl-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-6-methyl-N-[3-(4-piperidin-1-ylphenyl)cyclobutyl]thieno[2,3-b]pyridine-2-carboxamide);3-amino-6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2-methyl-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-6-methyl-N-[3-(4-piperidin-1-ylphenyl)cyclobutyl]thieno[2,3-b]pyridine-2-carboxamide);3-amino-6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2465.34 g/mol, XLogP of 24.48, 28 rotatable bonds, 14 hydrogen bond donors, and 31 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)-3-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(2-methyl-4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-6-methyl-N-[3-(4-piperidin-1-ylphenyl)cyclobutyl]thieno[2,3-b]pyridine-2-carboxamide);3-amino-6-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 157266666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).