4-amino-2-[3-(2-isocyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide

C52H49N11O7S4 — CID 159676052

About 4-amino-2-[3-(2-isocyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide

4-amino-2-[3-(2-isocyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 159676052) has the molecular formula C52H49N11O7S4 and a molecular weight of 1068.30 g/mol. Its IUPAC name is 4-amino-2-[3-(2-isocyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: 4-amino-2-[3-(2-isocyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
• PubChem CID: 159676052
• Molecular Formula: C52H49N11O7S4
• Molecular Weight: 1068.30 g/mol
• Exact Mass: 1067.27
• IUPAC Name: 4-amino-2-[3-(2-isocyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
• SMILES: CS(=O)(=O)c1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1.NC(=O)c1cnc(N)c2cc(-c3ccc(OCCN4CCOCC4)cc3)sc12.[C-]#[N+]CCc1cccc(-c2cc3c(N)ncc(C(N)=O)c3s2)c1
• InChI: InChI=1S/C20H22N4O3S.C17H14N4OS.C15H13N3O3S2/c21-19-15-11-17(28-18(15)16(12-23-19)20(22)25)13-1-3-14(4-2-13)27-10-7-24-5-8-26-9-6-24;1-20-6-5-10-3-2-4-11(7-10)14-8-12-15(23-14)13(17(19)22)9-21-16(12)18;1-23(20,21)9-4-2-8(3-5-9)12-6-10-13(22-12)11(15(17)19)7-18-14(10)16/h1-4,11-12H,5-10H2,(H2,21,23)(H2,22,25);2-4,7-9H,5-6H2,(H2,18,21)(H2,19,22);2-7H,1H3,(H2,16,18)(H2,17,19)
• InChIKey: MUPMZHWRTQFKQA-UHFFFAOYSA-N
• XLogP: 7.51
• TPSA: 306.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1068.30
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3-(2-isocyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?

The IUPAC name of 4-amino-2-[3-(2-isocyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide (CID 159676052) is 4-amino-2-[3-(2-isocyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide.

What is the SMILES notation for 4-amino-2-[3-(2-isocyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?

The canonical SMILES for 4-amino-2-[3-(2-isocyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide is CS(=O)(=O)c1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1.NC(=O)c1cnc(N)c2cc(-c3ccc(OCCN4CCOCC4)cc3)sc12.[C-]#[N+]CCc1cccc(-c2cc3c(N)ncc(C(N)=O)c3s2)c1.

What is the InChIKey of 4-amino-2-[3-(2-isocyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?

The InChIKey is MUPMZHWRTQFKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S.C17H14N4OS.C15H13N3O3S2/c21-19-15-11-17(28-18(15)16(12-23-19)20(22)25)13-1-3-14(4-2-13)27-10-7-24-5-8-26-9-6-24;1-20-6-5-10-3-2-4-11(7-10)14-8-12-15(23-14)13(17(19)22)9-21-16(12)18;1-23(20,21)9-4-2-8(3-5-9)12-6-10-13(22-12)11(15(17)19)7-18-14(10)16/h1-4,11-12H,5-10H2,(H2,21,23)(H2,22,25);2-4,7-9H,5-6H2,(H2,18,21)(H2,19,22);2-7H,1H3,(H2,16,18)(H2,17,19).

What are the key properties of 4-amino-2-[3-(2-isocyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?

4-amino-2-[3-(2-isocyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 1068.30 g/mol, XLogP of 7.51, 13 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-[3-(2-isocyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 159676052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).