(2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;benzyl (2R)-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate;7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid;methyl 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylate;methyl 7-ethenylthieno[3,2-b]pyridine-2-carboxylate;methyl 7-formylthieno[3,2-b]pyridine-2-carboxylate

C79H62F8N10O17S6 — CID 158185921

About (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;benzyl (2R)-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate;7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid;methyl 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylate;methyl 7-ethenylthieno[3,2-b]pyridine-2-carboxylate;methyl 7-formylthieno[3,2-b]pyridine-2-carboxylate

(2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;benzyl (2R)-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate;7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid;methyl 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylate;methyl 7-ethenylthieno[3,2-b]pyridine-2-carboxylate;methyl 7-formylthieno[3,2-b]pyridine-2-carboxylate (PubChem CID 158185921) has the molecular formula C79H62F8N10O17S6 and a molecular weight of 1767.80 g/mol. Its IUPAC name is (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;benzyl (2R)-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate;7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid;methyl 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylate;methyl 7-ethenylthieno[3,2-b]pyridine-2-carboxylate;methyl 7-formylthieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;benzyl (2R)-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate;7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid;methyl 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylate;methyl 7-ethenylthieno[3,2-b]pyridine-2-carboxylate;methyl 7-formylthieno[3,2-b]pyridine-2-carboxylate
• PubChem CID: 158185921
• Molecular Formula: C79H62F8N10O17S6
• Molecular Weight: 1767.80 g/mol
• Exact Mass: 1766.25
• IUPAC Name: (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;benzyl (2R)-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate;7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid;methyl 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylate;methyl 7-ethenylthieno[3,2-b]pyridine-2-carboxylate;methyl 7-formylthieno[3,2-b]pyridine-2-carboxylate
• SMILES: C=Cc1ccnc2cc(C(=O)OC)sc12.COC(=O)c1cc2nccc(C(F)F)c2s1.COC(=O)c1cc2nccc(C=O)c2s1.N[C@H](CNC(=O)c1cc2nccc(C(F)F)c2s1)C(=O)O.O=C(N[C@H](CNC(=O)c1cc2nccc(C(F)F)c2s1)C(=O)OCc1ccccc1)OCc1ccccc1.O=C(O)c1cc2nccc(C(F)F)c2s1
• InChI: InChI=1S/C27H23F2N3O5S.C12H11F2N3O3S.C11H9NO2S.C10H7F2NO2S.C10H7NO3S.C9H5F2NO2S/c28-24(29)19-11-12-30-20-13-22(38-23(19)20)25(33)31-14-21(26(34)36-15-17-7-3-1-4-8-17)32-27(35)37-16-18-9-5-2-6-10-18;13-10(14)5-1-2-16-7-3-8(21-9(5)7)11(18)17-4-6(15)12(19)20;1-3-7-4-5-12-8-6-9(11(13)14-2)15-10(7)8;1-15-10(14)7-4-6-8(16-7)5(9(11)12)2-3-13-6;1-14-10(13)8-4-7-9(15-8)6(5-12)2-3-11-7;10-8(11)4-1-2-12-5-3-6(9(13)14)15-7(4)5/h1-13,21,24H,14-16H2,(H,31,33)(H,32,35);1-3,6,10H,4,15H2,(H,17,18)(H,19,20);3-6H,1H2,2H3;2-4,9H,1H3;2-5H,1H3;1-3,8H,(H,13,14)/t21-;6-;;;;/m11..../s1
• InChIKey: FZDCHUTXBXSUCI-QMMZLEJHSA-N
• XLogP: 16.95
• TPSA: 396.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1767.80
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;benzyl (2R)-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate;7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid;methyl 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylate;methyl 7-ethenylthieno[3,2-b]pyridine-2-carboxylate;methyl 7-formylthieno[3,2-b]pyridine-2-carboxylate?

The IUPAC name of (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;benzyl (2R)-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate;7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid;methyl 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylate;methyl 7-ethenylthieno[3,2-b]pyridine-2-carboxylate;methyl 7-formylthieno[3,2-b]pyridine-2-carboxylate (CID 158185921) is (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;benzyl (2R)-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate;7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid;methyl 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylate;methyl 7-ethenylthieno[3,2-b]pyridine-2-carboxylate;methyl 7-formylthieno[3,2-b]pyridine-2-carboxylate.

What is the SMILES notation for (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;benzyl (2R)-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate;7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid;methyl 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylate;methyl 7-ethenylthieno[3,2-b]pyridine-2-carboxylate;methyl 7-formylthieno[3,2-b]pyridine-2-carboxylate?

The canonical SMILES for (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;benzyl (2R)-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate;7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid;methyl 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylate;methyl 7-ethenylthieno[3,2-b]pyridine-2-carboxylate;methyl 7-formylthieno[3,2-b]pyridine-2-carboxylate is C=Cc1ccnc2cc(C(=O)OC)sc12.COC(=O)c1cc2nccc(C(F)F)c2s1.COC(=O)c1cc2nccc(C=O)c2s1.N[C@H](CNC(=O)c1cc2nccc(C(F)F)c2s1)C(=O)O.O=C(N[C@H](CNC(=O)c1cc2nccc(C(F)F)c2s1)C(=O)OCc1ccccc1)OCc1ccccc1.O=C(O)c1cc2nccc(C(F)F)c2s1.

What is the InChIKey of (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;benzyl (2R)-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate;7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid;methyl 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylate;methyl 7-ethenylthieno[3,2-b]pyridine-2-carboxylate;methyl 7-formylthieno[3,2-b]pyridine-2-carboxylate?

The InChIKey is FZDCHUTXBXSUCI-QMMZLEJHSA-N. The full InChI is InChI=1S/C27H23F2N3O5S.C12H11F2N3O3S.C11H9NO2S.C10H7F2NO2S.C10H7NO3S.C9H5F2NO2S/c28-24(29)19-11-12-30-20-13-22(38-23(19)20)25(33)31-14-21(26(34)36-15-17-7-3-1-4-8-17)32-27(35)37-16-18-9-5-2-6-10-18;13-10(14)5-1-2-16-7-3-8(21-9(5)7)11(18)17-4-6(15)12(19)20;1-3-7-4-5-12-8-6-9(11(13)14-2)15-10(7)8;1-15-10(14)7-4-6-8(16-7)5(9(11)12)2-3-13-6;1-14-10(13)8-4-7-9(15-8)6(5-12)2-3-11-7;10-8(11)4-1-2-12-5-3-6(9(13)14)15-7(4)5/h1-13,21,24H,14-16H2,(H,31,33)(H,32,35);1-3,6,10H,4,15H2,(H,17,18)(H,19,20);3-6H,1H2,2H3;2-4,9H,1H3;2-5H,1H3;1-3,8H,(H,13,14)/t21-;6-;;;;/m11..../s1.

What are the key properties of (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;benzyl (2R)-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate;7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid;methyl 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylate;methyl 7-ethenylthieno[3,2-b]pyridine-2-carboxylate;methyl 7-formylthieno[3,2-b]pyridine-2-carboxylate?

(2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;benzyl (2R)-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate;7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid;methyl 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylate;methyl 7-ethenylthieno[3,2-b]pyridine-2-carboxylate;methyl 7-formylthieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 1767.80 g/mol, XLogP of 16.95, 23 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid;benzyl (2R)-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate;7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid;methyl 7-(difluoromethyl)thieno[3,2-b]pyridine-2-carboxylate;methyl 7-ethenylthieno[3,2-b]pyridine-2-carboxylate;methyl 7-formylthieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 158185921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).