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

C22H21Cl3N4O2S — CID 162390857

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

(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]-N-(3-chlorophenyl)propanamide;hydrochloride (PubChem CID 162390857) has the molecular formula C22H21Cl3N4O2S and a molecular weight of 511.86 g/mol. Its IUPAC name is (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]-N-(3-chlorophenyl)propanamide;hydrochloride.

Molecular Properties

• Compound Name: (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
• PubChem CID: 162390857
• Molecular Formula: C22H21Cl3N4O2S
• Molecular Weight: 511.86 g/mol
• Exact Mass: 510.05
• IUPAC Name: (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
• SMILES: Cc1c(C[C@@H](N)C(=O)Nc2cccc(Cl)c2)sc2c(NCc3ccco3)cc(Cl)nc12.Cl
• InChI: InChI=1S/C22H20Cl2N4O2S.ClH/c1-12-18(9-16(25)22(29)27-14-5-2-4-13(23)8-14)31-21-17(10-19(24)28-20(12)21)26-11-15-6-3-7-30-15;/h2-8,10,16H,9,11,25H2,1H3,(H,26,28)(H,27,29);1H/t16-;/m1./s1
• InChIKey: GXBZKMQJNKBVDO-PKLMIRHRSA-N
• XLogP: 6.05
• 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	511.86
LogP ≤ 5	6.05
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-3-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]-N-(3-chlorophenyl)propanamide;hydrochloride?

The IUPAC name of (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]-N-(3-chlorophenyl)propanamide;hydrochloride (CID 162390857) is (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]-N-(3-chlorophenyl)propanamide;hydrochloride.

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

The canonical SMILES for (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]-N-(3-chlorophenyl)propanamide;hydrochloride is Cc1c(C[C@@H](N)C(=O)Nc2cccc(Cl)c2)sc2c(NCc3ccco3)cc(Cl)nc12.Cl.

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

The InChIKey is GXBZKMQJNKBVDO-PKLMIRHRSA-N. The full InChI is InChI=1S/C22H20Cl2N4O2S.ClH/c1-12-18(9-16(25)22(29)27-14-5-2-4-13(23)8-14)31-21-17(10-19(24)28-20(12)21)26-11-15-6-3-7-30-15;/h2-8,10,16H,9,11,25H2,1H3,(H,26,28)(H,27,29);1H/t16-;/m1./s1.

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

(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]-N-(3-chlorophenyl)propanamide;hydrochloride has a molecular weight of 511.86 g/mol, XLogP of 6.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]-N-(3-chlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 162390857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).