3-[4-(4-amino-7-carbamoylthieno[3,2-c]pyridin-2-yl)phenyl]propanoic acid;4-amino-2-(3-cyanophenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(isocyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methoxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-methylsulfonylethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide

C80H67N17O10S6 — CID 157379005

About 3-[4-(4-amino-7-carbamoylthieno[3,2-c]pyridin-2-yl)phenyl]propanoic acid;4-amino-2-(3-cyanophenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(isocyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methoxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-methylsulfonylethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide

3-[4-(4-amino-7-carbamoylthieno[3,2-c]pyridin-2-yl)phenyl]propanoic acid;4-amino-2-(3-cyanophenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(isocyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methoxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-methylsulfonylethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 157379005) has the molecular formula C80H67N17O10S6 and a molecular weight of 1618.93 g/mol. Its IUPAC name is 3-[4-(4-amino-7-carbamoylthieno[3,2-c]pyridin-2-yl)phenyl]propanoic acid;4-amino-2-(3-cyanophenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(isocyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methoxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-methylsulfonylethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: 3-[4-(4-amino-7-carbamoylthieno[3,2-c]pyridin-2-yl)phenyl]propanoic acid;4-amino-2-(3-cyanophenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(isocyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methoxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-methylsulfonylethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
• PubChem CID: 157379005
• Molecular Formula: C80H67N17O10S6
• Molecular Weight: 1618.93 g/mol
• Exact Mass: 1617.36
• IUPAC Name: 3-[4-(4-amino-7-carbamoylthieno[3,2-c]pyridin-2-yl)phenyl]propanoic acid;4-amino-2-(3-cyanophenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(isocyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methoxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-methylsulfonylethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
• SMILES: COc1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1.CS(=O)(=O)CCc1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1.N#Cc1cccc(-c2cc3c(N)ncc(C(N)=O)c3s2)c1.NC(=O)c1cnc(N)c2cc(-c3ccc(CCC(=O)O)cc3)sc12.[C-]#[N+]Cc1cccc(-c2cc3c(N)ncc(C(N)=O)c3s2)c1
• InChI: InChI=1S/C17H17N3O3S2.C17H15N3O3S.C16H12N4OS.C15H10N4OS.C15H13N3O2S/c1-25(22,23)7-6-10-2-4-11(5-3-10)14-8-12-15(24-14)13(17(19)21)9-20-16(12)18;18-16-11-7-13(24-15(11)12(8-20-16)17(19)23)10-4-1-9(2-5-10)3-6-14(21)22;1-19-7-9-3-2-4-10(5-9)13-6-11-14(22-13)12(16(18)21)8-20-15(11)17;16-6-8-2-1-3-9(4-8)12-5-10-13(21-12)11(15(18)20)7-19-14(10)17;1-20-9-4-2-8(3-5-9)12-6-10-13(21-12)11(15(17)19)7-18-14(10)16/h2-5,8-9H,6-7H2,1H3,(H2,18,20)(H2,19,21);1-2,4-5,7-8H,3,6H2,(H2,18,20)(H2,19,23)(H,21,22);2-6,8H,7H2,(H2,17,20)(H2,18,21);1-5,7H,(H2,17,19)(H2,18,20);2-7H,1H3,(H2,16,18)(H2,17,19)
• InChIKey: BKQRHXFHQZWBKG-UHFFFAOYSA-N
• XLogP: 13.13
• TPSA: 518.82 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1618.93
LogP ≤ 5	13.13
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-amino-7-carbamoylthieno[3,2-c]pyridin-2-yl)phenyl]propanoic acid;4-amino-2-(3-cyanophenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(isocyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methoxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-methylsulfonylethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide?

The IUPAC name of 3-[4-(4-amino-7-carbamoylthieno[3,2-c]pyridin-2-yl)phenyl]propanoic acid;4-amino-2-(3-cyanophenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(isocyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methoxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-methylsulfonylethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide (CID 157379005) is 3-[4-(4-amino-7-carbamoylthieno[3,2-c]pyridin-2-yl)phenyl]propanoic acid;4-amino-2-(3-cyanophenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(isocyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methoxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-methylsulfonylethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide.

What is the SMILES notation for 3-[4-(4-amino-7-carbamoylthieno[3,2-c]pyridin-2-yl)phenyl]propanoic acid;4-amino-2-(3-cyanophenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(isocyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methoxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-methylsulfonylethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide?

The canonical SMILES for 3-[4-(4-amino-7-carbamoylthieno[3,2-c]pyridin-2-yl)phenyl]propanoic acid;4-amino-2-(3-cyanophenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(isocyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methoxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-methylsulfonylethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide is COc1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1.CS(=O)(=O)CCc1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1.N#Cc1cccc(-c2cc3c(N)ncc(C(N)=O)c3s2)c1.NC(=O)c1cnc(N)c2cc(-c3ccc(CCC(=O)O)cc3)sc12.[C-]#[N+]Cc1cccc(-c2cc3c(N)ncc(C(N)=O)c3s2)c1.

What is the InChIKey of 3-[4-(4-amino-7-carbamoylthieno[3,2-c]pyridin-2-yl)phenyl]propanoic acid;4-amino-2-(3-cyanophenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(isocyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methoxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-methylsulfonylethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide?

The InChIKey is BKQRHXFHQZWBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2.C17H15N3O3S.C16H12N4OS.C15H10N4OS.C15H13N3O2S/c1-25(22,23)7-6-10-2-4-11(5-3-10)14-8-12-15(24-14)13(17(19)21)9-20-16(12)18;18-16-11-7-13(24-15(11)12(8-20-16)17(19)23)10-4-1-9(2-5-10)3-6-14(21)22;1-19-7-9-3-2-4-10(5-9)13-6-11-14(22-13)12(16(18)21)8-20-15(11)17;16-6-8-2-1-3-9(4-8)12-5-10-13(21-12)11(15(18)20)7-19-14(10)17;1-20-9-4-2-8(3-5-9)12-6-10-13(21-12)11(15(17)19)7-18-14(10)16/h2-5,8-9H,6-7H2,1H3,(H2,18,20)(H2,19,21);1-2,4-5,7-8H,3,6H2,(H2,18,20)(H2,19,23)(H,21,22);2-6,8H,7H2,(H2,17,20)(H2,18,21);1-5,7H,(H2,17,19)(H2,18,20);2-7H,1H3,(H2,16,18)(H2,17,19).

What are the key properties of 3-[4-(4-amino-7-carbamoylthieno[3,2-c]pyridin-2-yl)phenyl]propanoic acid;4-amino-2-(3-cyanophenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(isocyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methoxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-methylsulfonylethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide?

3-[4-(4-amino-7-carbamoylthieno[3,2-c]pyridin-2-yl)phenyl]propanoic acid;4-amino-2-(3-cyanophenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(isocyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methoxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-methylsulfonylethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 1618.93 g/mol, XLogP of 13.13, 18 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-amino-7-carbamoylthieno[3,2-c]pyridin-2-yl)phenyl]propanoic acid;4-amino-2-(3-cyanophenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(isocyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methoxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-methylsulfonylethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 157379005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).