(2R)-2-amino-3-[5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-N-[(2R)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;2-N-[(2S)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;(2R,3R)-1-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butane-2,3-diamine

C76H83BrCl5FN18O2S9 — CID 164980330

About (2R)-2-amino-3-[5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-N-[(2R)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;2-N-[(2S)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;(2R,3R)-1-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butane-2,3-diamine

(2R)-2-amino-3-[5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-N-[(2R)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;2-N-[(2S)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;(2R,3R)-1-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butane-2,3-diamine (PubChem CID 164980330) has the molecular formula C76H83BrCl5FN18O2S9 and a molecular weight of 1845.39 g/mol. Its IUPAC name is (2R)-2-amino-3-[5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-N-[(2R)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;2-N-[(2S)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;(2R,3R)-1-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butane-2,3-diamine.

Molecular Properties

• Compound Name: (2R)-2-amino-3-[5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-N-[(2R)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;2-N-[(2S)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;(2R,3R)-1-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butane-2,3-diamine
• PubChem CID: 164980330
• Molecular Formula: C76H83BrCl5FN18O2S9
• Molecular Weight: 1845.39 g/mol
• Exact Mass: 1840.20
• IUPAC Name: (2R)-2-amino-3-[5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-N-[(2R)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;2-N-[(2S)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;(2R,3R)-1-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butane-2,3-diamine
• SMILES: C[C@@H](N)CNc1cc2nc(Cl)cc(NCc3cccs3)c2s1.C[C@@H](N)[C@H](N)Cc1cc2nc(Cl)cc(NCc3ccco3)c2s1.C[C@H](N)C(F)c1sc2c(NCc3cccs3)cc(Cl)nc2c1Br.C[C@H](N)CNc1cc2nc(Cl)cc(NCc3cccs3)c2s1.N[C@@H](CO)Cc1cc2nc(Cl)cc(NCc3cccs3)c2s1
• InChI: InChI=1S/C16H19ClN4OS.C15H14BrClFN3S2.2C15H17ClN4S2.C15H16ClN3OS2/c1-9(18)12(19)5-11-6-14-16(23-11)13(7-15(17)21-14)20-8-10-3-2-4-22-10;1-7(19)12(18)15-11(16)13-14(23-15)9(5-10(17)21-13)20-6-8-3-2-4-22-8;2*1-9(17)7-19-14-6-12-15(22-14)11(5-13(16)20-12)18-8-10-3-2-4-21-10;16-14-6-12(18-7-10-2-1-3-21-10)15-13(19-14)5-11(22-15)4-9(17)8-20/h2-4,6-7,9,12H,5,8,18-19H2,1H3,(H,20,21);2-5,7,12H,6,19H2,1H3,(H,20,21);2*2-6,9,19H,7-8,17H2,1H3,(H,18,20);1-3,5-6,9,20H,4,7-8,17H2,(H,18,19)/t9-,12-;7-,12?;3*9-/m10101/s1
• InChIKey: FJSWAYFPRMZCMO-WLLZOEOISA-N
• XLogP: 21.37
• TPSA: 338.15 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1845.39
LogP ≤ 5	21.37
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-N-[(2R)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;2-N-[(2S)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;(2R,3R)-1-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butane-2,3-diamine?

The IUPAC name of (2R)-2-amino-3-[5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-N-[(2R)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;2-N-[(2S)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;(2R,3R)-1-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butane-2,3-diamine (CID 164980330) is (2R)-2-amino-3-[5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-N-[(2R)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;2-N-[(2S)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;(2R,3R)-1-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butane-2,3-diamine.

What is the SMILES notation for (2R)-2-amino-3-[5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-N-[(2R)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;2-N-[(2S)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;(2R,3R)-1-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butane-2,3-diamine?

The canonical SMILES for (2R)-2-amino-3-[5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-N-[(2R)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;2-N-[(2S)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;(2R,3R)-1-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butane-2,3-diamine is C[C@@H](N)CNc1cc2nc(Cl)cc(NCc3cccs3)c2s1.C[C@@H](N)[C@H](N)Cc1cc2nc(Cl)cc(NCc3ccco3)c2s1.C[C@H](N)C(F)c1sc2c(NCc3cccs3)cc(Cl)nc2c1Br.C[C@H](N)CNc1cc2nc(Cl)cc(NCc3cccs3)c2s1.N[C@@H](CO)Cc1cc2nc(Cl)cc(NCc3cccs3)c2s1.

What is the InChIKey of (2R)-2-amino-3-[5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-N-[(2R)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;2-N-[(2S)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;(2R,3R)-1-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butane-2,3-diamine?

The InChIKey is FJSWAYFPRMZCMO-WLLZOEOISA-N. The full InChI is InChI=1S/C16H19ClN4OS.C15H14BrClFN3S2.2C15H17ClN4S2.C15H16ClN3OS2/c1-9(18)12(19)5-11-6-14-16(23-11)13(7-15(17)21-14)20-8-10-3-2-4-22-10;1-7(19)12(18)15-11(16)13-14(23-15)9(5-10(17)21-13)20-6-8-3-2-4-22-8;2*1-9(17)7-19-14-6-12-15(22-14)11(5-13(16)20-12)18-8-10-3-2-4-21-10;16-14-6-12(18-7-10-2-1-3-21-10)15-13(19-14)5-11(22-15)4-9(17)8-20/h2-4,6-7,9,12H,5,8,18-19H2,1H3,(H,20,21);2-5,7,12H,6,19H2,1H3,(H,20,21);2*2-6,9,19H,7-8,17H2,1H3,(H,18,20);1-3,5-6,9,20H,4,7-8,17H2,(H,18,19)/t9-,12-;7-,12?;3*9-/m10101/s1.

What are the key properties of (2R)-2-amino-3-[5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-N-[(2R)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;2-N-[(2S)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;(2R,3R)-1-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butane-2,3-diamine?

(2R)-2-amino-3-[5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-N-[(2R)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;2-N-[(2S)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;(2R,3R)-1-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butane-2,3-diamine has a molecular weight of 1845.39 g/mol, XLogP of 21.37, 29 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-3-[5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-N-[(2R)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;2-N-[(2S)-2-aminopropyl]-5-chloro-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-2,7-diamine;(2R,3R)-1-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butane-2,3-diamine is sourced from PubChem (CID 164980330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).