lithium;(2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;(2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)-2-methylpropanoate;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)propanoate;ethyl (2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;ethyl (2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;hydroxide

C117H99Br2LiN10O13S6 — CID 159214255

About lithium;(2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;(2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)-2-methylpropanoate;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)propanoate;ethyl (2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;ethyl (2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;hydroxide

lithium;(2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;(2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)-2-methylpropanoate;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)propanoate;ethyl (2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;ethyl (2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;hydroxide (PubChem CID 159214255) has the molecular formula C117H99Br2LiN10O13S6 and a molecular weight of 2212.29 g/mol. Its IUPAC name is lithium;(2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;(2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)-2-methylpropanoate;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)propanoate;ethyl (2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;ethyl (2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;hydroxide.

Molecular Properties

• Compound Name: lithium;(2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;(2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)-2-methylpropanoate;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)propanoate;ethyl (2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;ethyl (2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;hydroxide
• PubChem CID: 159214255
• Molecular Formula: C117H99Br2LiN10O13S6
• Molecular Weight: 2212.29 g/mol
• Exact Mass: 2208.42
• IUPAC Name: lithium;(2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;(2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)-2-methylpropanoate;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)propanoate;ethyl (2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;ethyl (2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;hydroxide
• SMILES: CCOC(=O)C(C)Cc1cc2cncc(Br)c2s1.CCOC(=O)CCc1cc2cncc(Br)c2s1.CCOC(=O)[C@@H](C)Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1.CCOC(=O)[C@H](C)Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1.C[C@@H](Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1)C(=O)O.C[C@H](Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1)C(=O)O.[Li+].[OH-]
• InChI: InChI=1S/2C24H20N2O2S.2C22H16N2O2S.C13H14BrNO2S.C12H12BrNO2S.Li.H2O/c2*1-3-28-24(27)15(2)10-18-11-17-13-26-14-22(23(17)29-18)21-9-8-16(12-25)19-6-4-5-7-20(19)21;2*1-13(22(25)26)8-16-9-15-11-24-12-20(21(15)27-16)19-7-6-14(10-23)17-4-2-3-5-18(17)19;1-3-17-13(16)8(2)4-10-5-9-6-15-7-11(14)12(9)18-10;1-2-16-11(15)4-3-9-5-8-6-14-7-10(13)12(8)17-9;;/h2*4-9,11,13-15H,3,10H2,1-2H3;2*2-7,9,11-13H,8H2,1H3,(H,25,26);5-8H,3-4H2,1-2H3;5-7H,2-4H2,1H3;;1H2/q;;;;;;+1;/p-1/t2*15-;2*13-;;;;/m1010..../s1
• InChIKey: KQWGNVAHUWZNMC-LBVCEVLTSA-M
• XLogP: 26.14
• TPSA: 382.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2212.29
LogP ≤ 5	26.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;(2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;(2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)-2-methylpropanoate;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)propanoate;ethyl (2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;ethyl (2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;hydroxide?

The IUPAC name of lithium;(2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;(2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)-2-methylpropanoate;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)propanoate;ethyl (2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;ethyl (2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;hydroxide (CID 159214255) is lithium;(2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;(2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)-2-methylpropanoate;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)propanoate;ethyl (2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;ethyl (2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;hydroxide.

What is the SMILES notation for lithium;(2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;(2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)-2-methylpropanoate;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)propanoate;ethyl (2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;ethyl (2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;hydroxide?

The canonical SMILES for lithium;(2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;(2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)-2-methylpropanoate;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)propanoate;ethyl (2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;ethyl (2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;hydroxide is CCOC(=O)C(C)Cc1cc2cncc(Br)c2s1.CCOC(=O)CCc1cc2cncc(Br)c2s1.CCOC(=O)[C@@H](C)Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1.CCOC(=O)[C@H](C)Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1.C[C@@H](Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1)C(=O)O.C[C@H](Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1)C(=O)O.[Li+].[OH-].

What is the InChIKey of lithium;(2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;(2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)-2-methylpropanoate;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)propanoate;ethyl (2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;ethyl (2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;hydroxide?

The InChIKey is KQWGNVAHUWZNMC-LBVCEVLTSA-M. The full InChI is InChI=1S/2C24H20N2O2S.2C22H16N2O2S.C13H14BrNO2S.C12H12BrNO2S.Li.H2O/c2*1-3-28-24(27)15(2)10-18-11-17-13-26-14-22(23(17)29-18)21-9-8-16(12-25)19-6-4-5-7-20(19)21;2*1-13(22(25)26)8-16-9-15-11-24-12-20(21(15)27-16)19-7-6-14(10-23)17-4-2-3-5-18(17)19;1-3-17-13(16)8(2)4-10-5-9-6-15-7-11(14)12(9)18-10;1-2-16-11(15)4-3-9-5-8-6-14-7-10(13)12(8)17-9;;/h2*4-9,11,13-15H,3,10H2,1-2H3;2*2-7,9,11-13H,8H2,1H3,(H,25,26);5-8H,3-4H2,1-2H3;5-7H,2-4H2,1H3;;1H2/q;;;;;;+1;/p-1/t2*15-;2*13-;;;;/m1010..../s1.

What are the key properties of lithium;(2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;(2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)-2-methylpropanoate;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)propanoate;ethyl (2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;ethyl (2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;hydroxide?

lithium;(2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;(2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)-2-methylpropanoate;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)propanoate;ethyl (2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;ethyl (2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;hydroxide has a molecular weight of 2212.29 g/mol, XLogP of 26.14, 26 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;(2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)-2-methylpropanoate;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)propanoate;ethyl (2R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;ethyl (2S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate;hydroxide is sourced from PubChem (CID 159214255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).