bis(3-amino-N-[2-[4-[(1R,5S)-3-bicyclo[3.2.1]octanyl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(4-cyclohexyl-2-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexyl-3-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

C123H139F2N17O5S5 — CID 159908418

About bis(3-amino-N-[2-[4-[(1R,5S)-3-bicyclo[3.2.1]octanyl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(4-cyclohexyl-2-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexyl-3-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

bis(3-amino-N-[2-[4-[(1R,5S)-3-bicyclo[3.2.1]octanyl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(4-cyclohexyl-2-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexyl-3-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 159908418) has the molecular formula C123H139F2N17O5S5 and a molecular weight of 2133.91 g/mol. Its IUPAC name is bis(3-amino-N-[2-[4-[(1R,5S)-3-bicyclo[3.2.1]octanyl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(4-cyclohexyl-2-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexyl-3-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: bis(3-amino-N-[2-[4-[(1R,5S)-3-bicyclo[3.2.1]octanyl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(4-cyclohexyl-2-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexyl-3-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 159908418
• Molecular Formula: C123H139F2N17O5S5
• Molecular Weight: 2133.91 g/mol
• Exact Mass: 2131.97
• IUPAC Name: bis(3-amino-N-[2-[4-[(1R,5S)-3-bicyclo[3.2.1]octanyl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(4-cyclohexyl-2-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexyl-3-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCCC4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCCC4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4C[C@H]5CC[C@@H](C4)C5)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4C[C@H]5CC[C@@H](C4)C5)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccccn4)c3)sc2n1
• InChI: InChI=1S/C27H29N5OS.2C25H29N3OS.2C23H26FN3OS/c1-18-8-10-20-24(28)25(34-27(20)31-18)26(33)30-14-12-19-9-11-23(32-15-5-2-6-16-32)21(17-19)22-7-3-4-13-29-22;2*1-15-2-9-21-22(26)23(30-25(21)28-15)24(29)27-11-10-16-5-7-19(8-6-16)20-13-17-3-4-18(12-17)14-20;1-14-7-10-18-20(25)21(29-23(18)27-14)22(28)26-12-11-16-8-9-17(13-19(16)24)15-5-3-2-4-6-15;1-14-7-9-18-20(25)21(29-23(18)27-14)22(28)26-12-11-15-8-10-17(19(24)13-15)16-5-3-2-4-6-16/h3-4,7-11,13,17H,2,5-6,12,14-16,28H2,1H3,(H,30,33);2*2,5-9,17-18,20H,3-4,10-14,26H2,1H3,(H,27,29);7-10,13,15H,2-6,11-12,25H2,1H3,(H,26,28);7-10,13,16H,2-6,11-12,25H2,1H3,(H,26,28)/t;2*17-,18+,20?
• InChIKey: NWWGKMDVVSDSBY-KWVKDTCUSA-N
• XLogP: 26.81
• TPSA: 356.18 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2133.91
LogP ≤ 5	26.81
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of bis(3-amino-N-[2-[4-[(1R,5S)-3-bicyclo[3.2.1]octanyl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(4-cyclohexyl-2-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexyl-3-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of bis(3-amino-N-[2-[4-[(1R,5S)-3-bicyclo[3.2.1]octanyl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(4-cyclohexyl-2-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexyl-3-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 159908418) is bis(3-amino-N-[2-[4-[(1R,5S)-3-bicyclo[3.2.1]octanyl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(4-cyclohexyl-2-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexyl-3-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for bis(3-amino-N-[2-[4-[(1R,5S)-3-bicyclo[3.2.1]octanyl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(4-cyclohexyl-2-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexyl-3-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for bis(3-amino-N-[2-[4-[(1R,5S)-3-bicyclo[3.2.1]octanyl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(4-cyclohexyl-2-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexyl-3-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCCC4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4CCCCC4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4C[C@H]5CC[C@@H](C4)C5)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(C4C[C@H]5CC[C@@H](C4)C5)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)c(-c4ccccn4)c3)sc2n1.

What is the InChIKey of bis(3-amino-N-[2-[4-[(1R,5S)-3-bicyclo[3.2.1]octanyl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(4-cyclohexyl-2-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexyl-3-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is NWWGKMDVVSDSBY-KWVKDTCUSA-N. The full InChI is InChI=1S/C27H29N5OS.2C25H29N3OS.2C23H26FN3OS/c1-18-8-10-20-24(28)25(34-27(20)31-18)26(33)30-14-12-19-9-11-23(32-15-5-2-6-16-32)21(17-19)22-7-3-4-13-29-22;2*1-15-2-9-21-22(26)23(30-25(21)28-15)24(29)27-11-10-16-5-7-19(8-6-16)20-13-17-3-4-18(12-17)14-20;1-14-7-10-18-20(25)21(29-23(18)27-14)22(28)26-12-11-16-8-9-17(13-19(16)24)15-5-3-2-4-6-15;1-14-7-9-18-20(25)21(29-23(18)27-14)22(28)26-12-11-15-8-10-17(19(24)13-15)16-5-3-2-4-6-16/h3-4,7-11,13,17H,2,5-6,12,14-16,28H2,1H3,(H,30,33);2*2,5-9,17-18,20H,3-4,10-14,26H2,1H3,(H,27,29);7-10,13,15H,2-6,11-12,25H2,1H3,(H,26,28);7-10,13,16H,2-6,11-12,25H2,1H3,(H,26,28)/t;2*17-,18+,20?;;.

What are the key properties of bis(3-amino-N-[2-[4-[(1R,5S)-3-bicyclo[3.2.1]octanyl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(4-cyclohexyl-2-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexyl-3-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?

bis(3-amino-N-[2-[4-[(1R,5S)-3-bicyclo[3.2.1]octanyl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(4-cyclohexyl-2-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexyl-3-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2133.91 g/mol, XLogP of 26.81, 26 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-amino-N-[2-[4-[(1R,5S)-3-bicyclo[3.2.1]octanyl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(4-cyclohexyl-2-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-cyclohexyl-3-fluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-(4-piperidin-1-yl-3-pyridin-2-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 159908418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).