3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C77H88F5N11O3S3 — CID 158755499

About 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 158755499) has the molecular formula C77H88F5N11O3S3 and a molecular weight of 1406.82 g/mol. Its IUPAC name is 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 158755499
• Molecular Formula: C77H88F5N11O3S3
• Molecular Weight: 1406.82 g/mol
• Exact Mass: 1405.62
• IUPAC Name: 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(C)c(C(=O)NC[C@H](C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@@H](C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1nc2sc(C(=O)NC[C@@H](C)c3ccc(N4CCCCC4)cc3C3CC3)c(N)c2cc1F
• InChI: InChI=1S/C26H29F2N3OS.C26H31FN4OS.C25H28F2N4OS/c1-14(11-29-25(32)24-16(3)19-7-4-15(2)30-26(19)33-24)20-9-22(28)23(10-21(20)27)31-12-17-5-6-18(8-17)13-31;1-15(14-29-25(32)24-23(28)21-13-22(27)16(2)30-26(21)33-24)19-9-8-18(12-20(19)17-6-7-17)31-10-4-3-5-11-31;1-13(10-29-24(32)23-22(28)17-6-3-14(2)30-25(17)33-23)18-8-20(27)21(9-19(18)26)31-11-15-4-5-16(7-15)12-31/h4,7,9-10,14,17-18H,5-6,8,11-13H2,1-3H3,(H,29,32);8-9,12-13,15,17H,3-7,10-11,14,28H2,1-2H3,(H,29,32);3,6,8-9,13,15-16H,4-5,7,10-12,28H2,1-2H3,(H,29,32)/t14-,17?,18?;15-;13-,15?,16?/m011/s1
• InChIKey: IOAGRNNODLHKRL-IYFOLQQHSA-N
• XLogP: 16.92
• TPSA: 187.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1406.82
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 158755499) is 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(C)c(C(=O)NC[C@H](C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NC[C@@H](C)c3cc(F)c(N4CC5CCC(C5)C4)cc3F)sc2n1.Cc1nc2sc(C(=O)NC[C@@H](C)c3ccc(N4CCCCC4)cc3C3CC3)c(N)c2cc1F.

What is the InChIKey of 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is IOAGRNNODLHKRL-IYFOLQQHSA-N. The full InChI is InChI=1S/C26H29F2N3OS.C26H31FN4OS.C25H28F2N4OS/c1-14(11-29-25(32)24-16(3)19-7-4-15(2)30-26(19)33-24)20-9-22(28)23(10-21(20)27)31-12-17-5-6-18(8-17)13-31;1-15(14-29-25(32)24-23(28)21-13-22(27)16(2)30-26(21)33-24)19-9-8-18(12-20(19)17-6-7-17)31-10-4-3-5-11-31;1-13(10-29-24(32)23-22(28)17-6-3-14(2)30-25(17)33-23)18-8-20(27)21(9-19(18)26)31-11-15-4-5-16(7-15)12-31/h4,7,9-10,14,17-18H,5-6,8,11-13H2,1-3H3,(H,29,32);8-9,12-13,15,17H,3-7,10-11,14,28H2,1-2H3,(H,29,32);3,6,8-9,13,15-16H,4-5,7,10-12,28H2,1-2H3,(H,29,32)/t14-,17?,18?;15-;13-,15?,16?/m011/s1.

What are the key properties of 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1406.82 g/mol, XLogP of 16.92, 16 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(2S)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(2R)-2-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]propyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 158755499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).