3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]propanoic acid;2-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]acetic acid;3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid;3-[7-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid

C115H86Cl4N8O12S6 — CID 162088401

About 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]propanoic acid;2-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]acetic acid;3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid;3-[7-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid

3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]propanoic acid;2-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]acetic acid;3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid;3-[7-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid (PubChem CID 162088401) has the molecular formula C115H86Cl4N8O12S6 and a molecular weight of 2106.21 g/mol. Its IUPAC name is 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]propanoic acid;2-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]acetic acid;3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid;3-[7-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]propanoic acid;2-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]acetic acid;3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid;3-[7-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid
• PubChem CID: 162088401
• Molecular Formula: C115H86Cl4N8O12S6
• Molecular Weight: 2106.21 g/mol
• Exact Mass: 2102.34
• IUPAC Name: 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]propanoic acid;2-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]acetic acid;3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid;3-[7-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid
• SMILES: CC(C)(Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1)C(=O)O.CC(C)(Cc1cc2cncc(-c3ccc(C#N)cc3)c2s1)C(=O)O.N#Cc1ccc(-c2cncc3cc(CC(=O)O)sc23)cc1.N#Cc1ccc(-c2cncc3sc(CCC(=O)O)cc23)c2ccccc12.O=C(O)CCc1cc2c(Cc3c(Cl)cccc3Cl)cccc2s1.O=C(O)CCc1cc2cccc(Cc3c(Cl)cccc3Cl)c2s1
• InChI: InChI=1S/C23H18N2O2S.C21H14N2O2S.C19H16N2O2S.2C18H14Cl2O2S.C16H10N2O2S/c1-23(2,22(26)27)10-16-9-15-12-25-13-20(21(15)28-16)19-8-7-14(11-24)17-5-3-4-6-18(17)19;22-10-13-5-7-17(16-4-2-1-3-15(13)16)19-11-23-12-20-18(19)9-14(26-20)6-8-21(24)25;1-19(2,18(22)23)8-15-7-14-10-21-11-16(17(14)24-15)13-5-3-12(9-20)4-6-13;19-15-4-2-5-16(20)14(15)9-11-3-1-6-17-13(11)10-12(23-17)7-8-18(21)22;19-15-5-2-6-16(20)14(15)10-12-4-1-3-11-9-13(23-18(11)12)7-8-17(21)22;17-7-10-1-3-11(4-2-10)14-9-18-8-12-5-13(6-15(19)20)21-16(12)14/h3-9,12-13H,10H2,1-2H3,(H,26,27);1-5,7,9,11-12H,6,8H2,(H,24,25);3-7,10-11H,8H2,1-2H3,(H,22,23);1-6,10H,7-9H2,(H,21,22);1-6,9H,7-8,10H2,(H,21,22);1-5,8-9H,6H2,(H,19,20)
• InChIKey: ZDGUMLASMQXIAL-UHFFFAOYSA-N
• XLogP: 30.23
• TPSA: 370.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2106.21
LogP ≤ 5	30.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]propanoic acid;2-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]acetic acid;3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid;3-[7-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid?

The IUPAC name of 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]propanoic acid;2-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]acetic acid;3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid;3-[7-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid (CID 162088401) is 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]propanoic acid;2-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]acetic acid;3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid;3-[7-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid.

What is the SMILES notation for 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]propanoic acid;2-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]acetic acid;3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid;3-[7-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid?

The canonical SMILES for 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]propanoic acid;2-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]acetic acid;3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid;3-[7-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid is CC(C)(Cc1cc2cncc(-c3ccc(C#N)c4ccccc34)c2s1)C(=O)O.CC(C)(Cc1cc2cncc(-c3ccc(C#N)cc3)c2s1)C(=O)O.N#Cc1ccc(-c2cncc3cc(CC(=O)O)sc23)cc1.N#Cc1ccc(-c2cncc3sc(CCC(=O)O)cc23)c2ccccc12.O=C(O)CCc1cc2c(Cc3c(Cl)cccc3Cl)cccc2s1.O=C(O)CCc1cc2cccc(Cc3c(Cl)cccc3Cl)c2s1.

What is the InChIKey of 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]propanoic acid;2-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]acetic acid;3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid;3-[7-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid?

The InChIKey is ZDGUMLASMQXIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2S.C21H14N2O2S.C19H16N2O2S.2C18H14Cl2O2S.C16H10N2O2S/c1-23(2,22(26)27)10-16-9-15-12-25-13-20(21(15)28-16)19-8-7-14(11-24)17-5-3-4-6-18(17)19;22-10-13-5-7-17(16-4-2-1-3-15(13)16)19-11-23-12-20-18(19)9-14(26-20)6-8-21(24)25;1-19(2,18(22)23)8-15-7-14-10-21-11-16(17(14)24-15)13-5-3-12(9-20)4-6-13;19-15-4-2-5-16(20)14(15)9-11-3-1-6-17-13(11)10-12(23-17)7-8-18(21)22;19-15-5-2-6-16(20)14(15)10-12-4-1-3-11-9-13(23-18(11)12)7-8-17(21)22;17-7-10-1-3-11(4-2-10)14-9-18-8-12-5-13(6-15(19)20)21-16(12)14/h3-9,12-13H,10H2,1-2H3,(H,26,27);1-5,7,9,11-12H,6,8H2,(H,24,25);3-7,10-11H,8H2,1-2H3,(H,22,23);1-6,10H,7-9H2,(H,21,22);1-6,9H,7-8,10H2,(H,21,22);1-5,8-9H,6H2,(H,19,20).

What are the key properties of 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]propanoic acid;2-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]acetic acid;3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid;3-[7-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid?

3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]propanoic acid;2-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]acetic acid;3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid;3-[7-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid has a molecular weight of 2106.21 g/mol, XLogP of 30.23, 25 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-(4-cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]propanoic acid;2-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]acetic acid;3-[7-(4-cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropanoic acid;3-[4-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid;3-[7-[(2,6-dichlorophenyl)methyl]-1-benzothiophen-2-yl]propanoic acid is sourced from PubChem (CID 162088401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).