ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]butanoate;ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxybutanoate;ethyl 3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]butanoate;methyl 3-[4-(4-cyanonaphthalen-1-yl)-1-benzothiophen-2-yl]-2,2-dimethylpropanoate;methyl 3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]-2,2-dimethylpropanoate

C138H119Cl2N9O13S6 — CID 159055520

About ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]butanoate;ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxybutanoate;ethyl 3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]butanoate;methyl 3-[4-(4-cyanonaphthalen-1-yl)-1-benzothiophen-2-yl]-2,2-dimethylpropanoate;methyl 3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]-2,2-dimethylpropanoate

ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]butanoate;ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxybutanoate;ethyl 3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]butanoate;methyl 3-[4-(4-cyanonaphthalen-1-yl)-1-benzothiophen-2-yl]-2,2-dimethylpropanoate;methyl 3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]-2,2-dimethylpropanoate (PubChem CID 159055520) has the molecular formula C138H119Cl2N9O13S6 and a molecular weight of 2374.83 g/mol. Its IUPAC name is ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]butanoate;ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxybutanoate;ethyl 3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]butanoate;methyl 3-[4-(4-cyanonaphthalen-1-yl)-1-benzothiophen-2-yl]-2,2-dimethylpropanoate;methyl 3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]-2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]butanoate;ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxybutanoate;ethyl 3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]butanoate;methyl 3-[4-(4-cyanonaphthalen-1-yl)-1-benzothiophen-2-yl]-2,2-dimethylpropanoate;methyl 3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]-2,2-dimethylpropanoate
• PubChem CID: 159055520
• Molecular Formula: C138H119Cl2N9O13S6
• Molecular Weight: 2374.83 g/mol
• Exact Mass: 2371.66
• IUPAC Name: ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]butanoate;ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxybutanoate;ethyl 3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]butanoate;methyl 3-[4-(4-cyanonaphthalen-1-yl)-1-benzothiophen-2-yl]-2,2-dimethylpropanoate;methyl 3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]-2,2-dimethylpropanoate
• SMILES: CCOC(=O)CC(C)(O)c1cc2c(-c3ccc(C#N)c4ccccc34)cncc2s1.CCOC(=O)CC(C)c1cc2c(-c3ccc(C#N)c4ccccc34)cncc2s1.CCOC(=O)CC(C)c1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1.CCOC(=O)CC(C)c1cc2cncc(-c3ccc(C#N)cc3)c2s1.COC(=O)C(C)(C)Cc1cc2c(-c3ccc(C#N)c4ccccc34)cccc2s1.COC(=O)C(C)(C)Cc1cc2c(Cc3c(Cl)cccc3Cl)cccc2s1
• InChI: InChI=1S/C25H21NO2S.C24H20N2O3S.2C24H20N2O2S.C21H20Cl2O2S.C20H18N2O2S/c1-25(2,24(27)28-3)14-17-13-22-20(9-6-10-23(22)29-17)21-12-11-16(15-26)18-7-4-5-8-19(18)21;1-3-29-23(27)11-24(2,28)22-10-19-20(13-26-14-21(19)30-22)18-9-8-15(12-25)16-6-4-5-7-17(16)18;1-3-28-23(27)10-15(2)22-11-17-13-26-14-21(24(17)29-22)20-9-8-16(12-25)18-6-4-5-7-19(18)20;1-3-28-24(27)10-15(2)22-11-20-21(13-26-14-23(20)29-22)19-9-8-16(12-25)17-6-4-5-7-18(17)19;1-21(2,20(24)25-3)12-14-11-15-13(6-4-9-19(15)26-14)10-16-17(22)7-5-8-18(16)23;1-3-24-19(23)8-13(2)18-9-16-11-22-12-17(20(16)25-18)15-6-4-14(10-21)5-7-15/h4-13H,14H2,1-3H3;4-10,13-14,28H,3,11H2,1-2H3;2*4-9,11,13-15H,3,10H2,1-2H3;4-9,11H,10,12H2,1-3H3;4-7,9,11-13H,3,8H2,1-2H3
• InChIKey: JXUPKEVOEIELNJ-UHFFFAOYSA-N
• XLogP: 35.01
• TPSA: 348.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2374.83
LogP ≤ 5	35.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]butanoate;ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxybutanoate;ethyl 3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]butanoate;methyl 3-[4-(4-cyanonaphthalen-1-yl)-1-benzothiophen-2-yl]-2,2-dimethylpropanoate;methyl 3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]-2,2-dimethylpropanoate?

The IUPAC name of ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]butanoate;ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxybutanoate;ethyl 3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]butanoate;methyl 3-[4-(4-cyanonaphthalen-1-yl)-1-benzothiophen-2-yl]-2,2-dimethylpropanoate;methyl 3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]-2,2-dimethylpropanoate (CID 159055520) is ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]butanoate;ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxybutanoate;ethyl 3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]butanoate;methyl 3-[4-(4-cyanonaphthalen-1-yl)-1-benzothiophen-2-yl]-2,2-dimethylpropanoate;methyl 3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]-2,2-dimethylpropanoate.

What is the SMILES notation for ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]butanoate;ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxybutanoate;ethyl 3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]butanoate;methyl 3-[4-(4-cyanonaphthalen-1-yl)-1-benzothiophen-2-yl]-2,2-dimethylpropanoate;methyl 3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]-2,2-dimethylpropanoate?

The canonical SMILES for ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]butanoate;ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxybutanoate;ethyl 3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]butanoate;methyl 3-[4-(4-cyanonaphthalen-1-yl)-1-benzothiophen-2-yl]-2,2-dimethylpropanoate;methyl 3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]-2,2-dimethylpropanoate is CCOC(=O)CC(C)(O)c1cc2c(-c3ccc(C#N)c4ccccc34)cncc2s1.CCOC(=O)CC(C)c1cc2c(-c3ccc(C#N)c4ccccc34)cncc2s1.CCOC(=O)CC(C)c1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1.CCOC(=O)CC(C)c1cc2cncc(-c3ccc(C#N)cc3)c2s1.COC(=O)C(C)(C)Cc1cc2c(-c3ccc(C#N)c4ccccc34)cccc2s1.COC(=O)C(C)(C)Cc1cc2c(Cc3c(Cl)cccc3Cl)cccc2s1.

What is the InChIKey of ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]butanoate;ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxybutanoate;ethyl 3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]butanoate;methyl 3-[4-(4-cyanonaphthalen-1-yl)-1-benzothiophen-2-yl]-2,2-dimethylpropanoate;methyl 3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]-2,2-dimethylpropanoate?

The InChIKey is JXUPKEVOEIELNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2S.C24H20N2O3S.2C24H20N2O2S.C21H20Cl2O2S.C20H18N2O2S/c1-25(2,24(27)28-3)14-17-13-22-20(9-6-10-23(22)29-17)21-12-11-16(15-26)18-7-4-5-8-19(18)21;1-3-29-23(27)11-24(2,28)22-10-19-20(13-26-14-21(19)30-22)18-9-8-15(12-25)16-6-4-5-7-17(16)18;1-3-28-23(27)10-15(2)22-11-17-13-26-14-21(24(17)29-22)20-9-8-16(12-25)18-6-4-5-7-19(18)20;1-3-28-24(27)10-15(2)22-11-20-21(13-26-14-23(20)29-22)19-9-8-16(12-25)17-6-4-5-7-18(17)19;1-21(2,20(24)25-3)12-14-11-15-13(6-4-9-19(15)26-14)10-16-17(22)7-5-8-18(16)23;1-3-24-19(23)8-13(2)18-9-16-11-22-12-17(20(16)25-18)15-6-4-14(10-21)5-7-15/h4-13H,14H2,1-3H3;4-10,13-14,28H,3,11H2,1-2H3;2*4-9,11,13-15H,3,10H2,1-2H3;4-9,11H,10,12H2,1-3H3;4-7,9,11-13H,3,8H2,1-2H3.

What are the key properties of ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]butanoate;ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxybutanoate;ethyl 3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]butanoate;methyl 3-[4-(4-cyanonaphthalen-1-yl)-1-benzothiophen-2-yl]-2,2-dimethylpropanoate;methyl 3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]-2,2-dimethylpropanoate?

ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]butanoate;ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxybutanoate;ethyl 3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]butanoate;methyl 3-[4-(4-cyanonaphthalen-1-yl)-1-benzothiophen-2-yl]-2,2-dimethylpropanoate;methyl 3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]-2,2-dimethylpropanoate has a molecular weight of 2374.83 g/mol, XLogP of 35.01, 29 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]butanoate;ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl 3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxybutanoate;ethyl 3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]butanoate;methyl 3-[4-(4-cyanonaphthalen-1-yl)-1-benzothiophen-2-yl]-2,2-dimethylpropanoate;methyl 3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 159055520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).