3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-iodophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;2-(4-bromo-2,5-difluorophenyl)ethanamine;tert-butyl (2R)-2-methylpiperidine-1-carboxylate;N-methylbutan-1-amine

C89H103Br2F8IN16O7S4 — CID 157133083

About 3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-iodophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;2-(4-bromo-2,5-difluorophenyl)ethanamine;tert-butyl (2R)-2-methylpiperidine-1-carboxylate;N-methylbutan-1-amine

3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-iodophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;2-(4-bromo-2,5-difluorophenyl)ethanamine;tert-butyl (2R)-2-methylpiperidine-1-carboxylate;N-methylbutan-1-amine (PubChem CID 157133083) has the molecular formula C89H103Br2F8IN16O7S4 and a molecular weight of 2075.87 g/mol. Its IUPAC name is 3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-iodophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;2-(4-bromo-2,5-difluorophenyl)ethanamine;tert-butyl (2R)-2-methylpiperidine-1-carboxylate;N-methylbutan-1-amine.

Molecular Properties

• Compound Name: 3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-iodophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;2-(4-bromo-2,5-difluorophenyl)ethanamine;tert-butyl (2R)-2-methylpiperidine-1-carboxylate;N-methylbutan-1-amine
• PubChem CID: 157133083
• Molecular Formula: C89H103Br2F8IN16O7S4
• Molecular Weight: 2075.87 g/mol
• Exact Mass: 2072.44
• IUPAC Name: 3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-iodophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;2-(4-bromo-2,5-difluorophenyl)ethanamine;tert-butyl (2R)-2-methylpiperidine-1-carboxylate;N-methylbutan-1-amine
• SMILES: CCCCNC.C[C@@H]1CCCCN1C(=O)OC(C)(C)C.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(Br)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(I)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCN[C@H](C)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.NCCc1cc(F)c(Br)cc1F
• InChI: InChI=1S/C22H25F2N5OS.C17H14BrF2N3OS.C17H14F2IN3OS.C11H21NO2.C9H8N2O2S.C8H8BrF2N.C5H13N/c1-12-3-4-15-19(25)20(31-22(15)28-12)21(30)27-6-5-14-9-17(24)18(10-16(14)23)29-8-7-26-13(2)11-29;1-8-2-3-10-14(21)15(25-17(10)23-8)16(24)22-5-4-9-6-13(20)11(18)7-12(9)19;1-8-2-3-10-14(21)15(25-17(10)23-8)16(24)22-5-4-9-6-12(19)13(20)7-11(9)18;1-9-7-5-6-8-12(9)10(13)14-11(2,3)4;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4;9-6-4-7(10)5(1-2-12)3-8(6)11;1-3-4-5-6-2/h3-4,9-10,13,26H,5-8,11,25H2,1-2H3,(H,27,30);2*2-3,6-7H,4-5,21H2,1H3,(H,22,24);9H,5-8H2,1-4H3;2-3H,10H2,1H3,(H,12,13);3-4H,1-2,12H2;6H,3-5H2,1-2H3/t13-;;;9-;;;/m1..1.../s1
• InChIKey: AJHLGODIEDSCQR-HREOAFEDSA-N
• XLogP: 19.39
• TPSA: 363.10 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2075.87
LogP ≤ 5	19.39
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-iodophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;2-(4-bromo-2,5-difluorophenyl)ethanamine;tert-butyl (2R)-2-methylpiperidine-1-carboxylate;N-methylbutan-1-amine?

The IUPAC name of 3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-iodophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;2-(4-bromo-2,5-difluorophenyl)ethanamine;tert-butyl (2R)-2-methylpiperidine-1-carboxylate;N-methylbutan-1-amine (CID 157133083) is 3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-iodophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;2-(4-bromo-2,5-difluorophenyl)ethanamine;tert-butyl (2R)-2-methylpiperidine-1-carboxylate;N-methylbutan-1-amine.

What is the SMILES notation for 3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-iodophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;2-(4-bromo-2,5-difluorophenyl)ethanamine;tert-butyl (2R)-2-methylpiperidine-1-carboxylate;N-methylbutan-1-amine?

The canonical SMILES for 3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-iodophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;2-(4-bromo-2,5-difluorophenyl)ethanamine;tert-butyl (2R)-2-methylpiperidine-1-carboxylate;N-methylbutan-1-amine is CCCCNC.C[C@@H]1CCCCN1C(=O)OC(C)(C)C.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(Br)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(I)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCN[C@H](C)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.NCCc1cc(F)c(Br)cc1F.

What is the InChIKey of 3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-iodophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;2-(4-bromo-2,5-difluorophenyl)ethanamine;tert-butyl (2R)-2-methylpiperidine-1-carboxylate;N-methylbutan-1-amine?

The InChIKey is AJHLGODIEDSCQR-HREOAFEDSA-N. The full InChI is InChI=1S/C22H25F2N5OS.C17H14BrF2N3OS.C17H14F2IN3OS.C11H21NO2.C9H8N2O2S.C8H8BrF2N.C5H13N/c1-12-3-4-15-19(25)20(31-22(15)28-12)21(30)27-6-5-14-9-17(24)18(10-16(14)23)29-8-7-26-13(2)11-29;1-8-2-3-10-14(21)15(25-17(10)23-8)16(24)22-5-4-9-6-13(20)11(18)7-12(9)19;1-8-2-3-10-14(21)15(25-17(10)23-8)16(24)22-5-4-9-6-12(19)13(20)7-11(9)18;1-9-7-5-6-8-12(9)10(13)14-11(2,3)4;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4;9-6-4-7(10)5(1-2-12)3-8(6)11;1-3-4-5-6-2/h3-4,9-10,13,26H,5-8,11,25H2,1-2H3,(H,27,30);2*2-3,6-7H,4-5,21H2,1H3,(H,22,24);9H,5-8H2,1-4H3;2-3H,10H2,1H3,(H,12,13);3-4H,1-2,12H2;6H,3-5H2,1-2H3/t13-;;;9-;;;/m1..1.../s1.

What are the key properties of 3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-iodophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;2-(4-bromo-2,5-difluorophenyl)ethanamine;tert-butyl (2R)-2-methylpiperidine-1-carboxylate;N-methylbutan-1-amine?

3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-iodophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;2-(4-bromo-2,5-difluorophenyl)ethanamine;tert-butyl (2R)-2-methylpiperidine-1-carboxylate;N-methylbutan-1-amine has a molecular weight of 2075.87 g/mol, XLogP of 19.39, 19 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-iodophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;2-(4-bromo-2,5-difluorophenyl)ethanamine;tert-butyl (2R)-2-methylpiperidine-1-carboxylate;N-methylbutan-1-amine is sourced from PubChem (CID 157133083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).