lithium;6-fluoro-7-methylthieno[3,2-b]pyridine-2-carboxylate;methyl (2R)-2-amino-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;methyl (2R)-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate

C43H39F3LiN7O10S3 — CID 157333261

About lithium;6-fluoro-7-methylthieno[3,2-b]pyridine-2-carboxylate;methyl (2R)-2-amino-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;methyl (2R)-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate

lithium;6-fluoro-7-methylthieno[3,2-b]pyridine-2-carboxylate;methyl (2R)-2-amino-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;methyl (2R)-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 157333261) has the molecular formula C43H39F3LiN7O10S3 and a molecular weight of 973.96 g/mol. Its IUPAC name is lithium;6-fluoro-7-methylthieno[3,2-b]pyridine-2-carboxylate;methyl (2R)-2-amino-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;methyl (2R)-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

• Compound Name: lithium;6-fluoro-7-methylthieno[3,2-b]pyridine-2-carboxylate;methyl (2R)-2-amino-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;methyl (2R)-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate
• PubChem CID: 157333261
• Molecular Formula: C43H39F3LiN7O10S3
• Molecular Weight: 973.96 g/mol
• Exact Mass: 973.20
• IUPAC Name: lithium;6-fluoro-7-methylthieno[3,2-b]pyridine-2-carboxylate;methyl (2R)-2-amino-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;methyl (2R)-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate
• SMILES: COC(=O)[C@@H](CNC(=O)c1cc2ncc(F)c(C)c2s1)NC(=O)OCc1ccccc1.COC(=O)[C@H](N)CNC(=O)c1cc2ncc(F)c(C)c2s1.Cc1c(F)cnc2cc(C(=O)[O-])sc12.[Li+]
• InChI: InChI=1S/C21H20FN3O5S.C13H14FN3O3S.C9H6FNO2S.Li/c1-12-14(22)9-23-15-8-17(31-18(12)15)19(26)24-10-16(20(27)29-2)25-21(28)30-11-13-6-4-3-5-7-13;1-6-7(14)4-16-9-3-10(21-11(6)9)12(18)17-5-8(15)13(19)20-2;1-4-5(10)3-11-6-2-7(9(12)13)14-8(4)6;/h3-9,16H,10-11H2,1-2H3,(H,24,26)(H,25,28);3-4,8H,5,15H2,1-2H3,(H,17,18);2-3H,1H3,(H,12,13);/q;;;+1/p-1/t16-;8-;;/m11../s1
• InChIKey: BFNQDKNZGWNXEZ-JOFJRPGSSA-M
• XLogP: 2.03
• TPSA: 253.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	973.96
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;6-fluoro-7-methylthieno[3,2-b]pyridine-2-carboxylate;methyl (2R)-2-amino-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;methyl (2R)-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate?

The IUPAC name of lithium;6-fluoro-7-methylthieno[3,2-b]pyridine-2-carboxylate;methyl (2R)-2-amino-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;methyl (2R)-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate (CID 157333261) is lithium;6-fluoro-7-methylthieno[3,2-b]pyridine-2-carboxylate;methyl (2R)-2-amino-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;methyl (2R)-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate.

What is the SMILES notation for lithium;6-fluoro-7-methylthieno[3,2-b]pyridine-2-carboxylate;methyl (2R)-2-amino-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;methyl (2R)-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate?

The canonical SMILES for lithium;6-fluoro-7-methylthieno[3,2-b]pyridine-2-carboxylate;methyl (2R)-2-amino-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;methyl (2R)-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate is COC(=O)[C@@H](CNC(=O)c1cc2ncc(F)c(C)c2s1)NC(=O)OCc1ccccc1.COC(=O)[C@H](N)CNC(=O)c1cc2ncc(F)c(C)c2s1.Cc1c(F)cnc2cc(C(=O)[O-])sc12.[Li+].

What is the InChIKey of lithium;6-fluoro-7-methylthieno[3,2-b]pyridine-2-carboxylate;methyl (2R)-2-amino-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;methyl (2R)-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate?

The InChIKey is BFNQDKNZGWNXEZ-JOFJRPGSSA-M. The full InChI is InChI=1S/C21H20FN3O5S.C13H14FN3O3S.C9H6FNO2S.Li/c1-12-14(22)9-23-15-8-17(31-18(12)15)19(26)24-10-16(20(27)29-2)25-21(28)30-11-13-6-4-3-5-7-13;1-6-7(14)4-16-9-3-10(21-11(6)9)12(18)17-5-8(15)13(19)20-2;1-4-5(10)3-11-6-2-7(9(12)13)14-8(4)6;/h3-9,16H,10-11H2,1-2H3,(H,24,26)(H,25,28);3-4,8H,5,15H2,1-2H3,(H,17,18);2-3H,1H3,(H,12,13);/q;;;+1/p-1/t16-;8-;;/m11../s1.

What are the key properties of lithium;6-fluoro-7-methylthieno[3,2-b]pyridine-2-carboxylate;methyl (2R)-2-amino-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;methyl (2R)-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate?

lithium;6-fluoro-7-methylthieno[3,2-b]pyridine-2-carboxylate;methyl (2R)-2-amino-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;methyl (2R)-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 973.96 g/mol, XLogP of 2.03, 12 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;6-fluoro-7-methylthieno[3,2-b]pyridine-2-carboxylate;methyl (2R)-2-amino-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;methyl (2R)-3-[(6-fluoro-7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 157333261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).