(2R)-2-amino-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride

C₂₁H₁₈Cl₄N₄O₂S — CID 155059994

About (2R)-2-amino-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride

(2R)-2-amino-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride (PubChem CID 155059994) has the molecular formula C₂₁H₁₈Cl₄N₄O₂S and a molecular weight of 532.28 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride.

Molecular Properties

• Compound Name: (2R)-2-amino-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride
• PubChem CID: 155059994
• Molecular Formula: C₂₁H₁₈Cl₄N₄O₂S
• Molecular Weight: 532.28 g/mol
• Exact Mass: 529.99
• IUPAC Name: (2R)-2-amino-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride
• SMILES: Cl.N[C@H](Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Cl)C(=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C21H17Cl3N4O2S.ClH/c22-11-3-5-12(6-4-11)27-21(29)14(25)8-16-18(24)19-20(31-16)15(9-17(23)28-19)26-10-13-2-1-7-30-13;/h1-7,9,14H,8,10,25H2,(H,26,28)(H,27,29);1H/t14-;/m1./s1
• InChIKey: ZLNQVNBSRZKRNS-PFEQFJNWSA-N
• XLogP: 6.39
• TPSA: 93.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.28
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride?

The IUPAC name of (2R)-2-amino-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride (CID 155059994) is (2R)-2-amino-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride.

What is the SMILES notation for (2R)-2-amino-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride?

The canonical SMILES for (2R)-2-amino-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride is Cl.N[C@H](Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Cl)C(=O)Nc1ccc(Cl)cc1.

What is the InChIKey of (2R)-2-amino-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride?

The InChIKey is ZLNQVNBSRZKRNS-PFEQFJNWSA-N. The full InChI is InChI=1S/C21H17Cl3N4O2S.ClH/c22-11-3-5-12(6-4-11)27-21(29)14(25)8-16-18(24)19-20(31-16)15(9-17(23)28-19)26-10-13-2-1-7-30-13;/h1-7,9,14H,8,10,25H2,(H,26,28)(H,27,29);1H/t14-;/m1./s1.

What are the key properties of (2R)-2-amino-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride?

(2R)-2-amino-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride has a molecular weight of 532.28 g/mol, XLogP of 6.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 155059994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155059994 — identifiers, structure, computed properties (public domain)

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