2-[(2S)-2-amino-4,4-difluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-isocyanopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;2-[(2S)-2-aminopropyl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile

C81H79BrCl6F2N18O4S9 — CID 165003884

About 2-[(2S)-2-amino-4,4-difluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-isocyanopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;2-[(2S)-2-aminopropyl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile

2-[(2S)-2-amino-4,4-difluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-isocyanopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;2-[(2S)-2-aminopropyl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile (PubChem CID 165003884) has the molecular formula C81H79BrCl6F2N18O4S9 and a molecular weight of 1987.87 g/mol. Its IUPAC name is 2-[(2S)-2-amino-4,4-difluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-isocyanopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;2-[(2S)-2-aminopropyl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[(2S)-2-amino-4,4-difluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-isocyanopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;2-[(2S)-2-aminopropyl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile
• PubChem CID: 165003884
• Molecular Formula: C81H79BrCl6F2N18O4S9
• Molecular Weight: 1987.87 g/mol
• Exact Mass: 1982.13
• IUPAC Name: 2-[(2S)-2-amino-4,4-difluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-isocyanopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;2-[(2S)-2-aminopropyl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile
• SMILES: C[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C#N.C[C@H](N)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1C#N.Cc1c(C[C@@H](N)CS(C)(=O)=O)sc2c(NCc3ccco3)cc(Cl)nc12.N[C@H](Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1Br)CC(F)F.[C-]#[N+]C[C@H](N)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl
• InChI: InChI=1S/C17H20ClN3O3S2.C16H15BrClF2N3S2.C16H14Cl2N4S2.C16H15ClN4OS.C16H15ClN4S2/c1-10-14(6-11(19)9-26(2,22)23)25-17-13(7-15(18)21-16(10)17)20-8-12-4-3-5-24-12;17-14-11(4-8(21)5-13(19)20)25-16-10(6-12(18)23-15(14)16)22-7-9-2-1-3-24-9;1-20-7-9(19)5-12-14(18)15-16(24-12)11(6-13(17)22-15)21-8-10-3-2-4-23-10;2*1-9(19)5-13-11(7-18)15-16(23-13)12(6-14(17)21-15)20-8-10-3-2-4-22-10/h3-5,7,11H,6,8-9,19H2,1-2H3,(H,20,21);1-3,6,8,13H,4-5,7,21H2,(H,22,23);2-4,6,9H,5,7-8,19H2,(H,21,22);2*2-4,6,9H,5,8,19H2,1H3,(H,20,21)/t11-;8-;3*9-/m11100/s1
• InChIKey: IRBUDFOGRVYFRD-XVOLWKBQSA-N
• XLogP: 22.66
• TPSA: 367.06 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 30
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1987.87
LogP ≤ 5	22.66
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-amino-4,4-difluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-isocyanopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;2-[(2S)-2-aminopropyl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile?

The IUPAC name of 2-[(2S)-2-amino-4,4-difluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-isocyanopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;2-[(2S)-2-aminopropyl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile (CID 165003884) is 2-[(2S)-2-amino-4,4-difluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-isocyanopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;2-[(2S)-2-aminopropyl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile.

What is the SMILES notation for 2-[(2S)-2-amino-4,4-difluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-isocyanopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;2-[(2S)-2-aminopropyl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile?

The canonical SMILES for 2-[(2S)-2-amino-4,4-difluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-isocyanopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;2-[(2S)-2-aminopropyl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile is C[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C#N.C[C@H](N)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1C#N.Cc1c(C[C@@H](N)CS(C)(=O)=O)sc2c(NCc3ccco3)cc(Cl)nc12.N[C@H](Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1Br)CC(F)F.[C-]#[N+]C[C@H](N)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl.

What is the InChIKey of 2-[(2S)-2-amino-4,4-difluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-isocyanopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;2-[(2S)-2-aminopropyl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile?

The InChIKey is IRBUDFOGRVYFRD-XVOLWKBQSA-N. The full InChI is InChI=1S/C17H20ClN3O3S2.C16H15BrClF2N3S2.C16H14Cl2N4S2.C16H15ClN4OS.C16H15ClN4S2/c1-10-14(6-11(19)9-26(2,22)23)25-17-13(7-15(18)21-16(10)17)20-8-12-4-3-5-24-12;17-14-11(4-8(21)5-13(19)20)25-16-10(6-12(18)23-15(14)16)22-7-9-2-1-3-24-9;1-20-7-9(19)5-12-14(18)15-16(24-12)11(6-13(17)22-15)21-8-10-3-2-4-23-10;2*1-9(19)5-13-11(7-18)15-16(23-13)12(6-14(17)21-15)20-8-10-3-2-4-22-10/h3-5,7,11H,6,8-9,19H2,1-2H3,(H,20,21);1-3,6,8,13H,4-5,7,21H2,(H,22,23);2-4,6,9H,5,7-8,19H2,(H,21,22);2*2-4,6,9H,5,8,19H2,1H3,(H,20,21)/t11-;8-;3*9-/m11100/s1.

What are the key properties of 2-[(2S)-2-amino-4,4-difluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-isocyanopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;2-[(2S)-2-aminopropyl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile?

2-[(2S)-2-amino-4,4-difluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-isocyanopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;2-[(2S)-2-aminopropyl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile has a molecular weight of 1987.87 g/mol, XLogP of 22.66, 30 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-2-amino-4,4-difluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-isocyanopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;2-[(2S)-2-aminopropyl]-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 165003884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).