4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid

C47H42IN13O7S4 — CID 160873518

IUPAC4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid
SMILESC.COc1ccc(CNc2ncc(C#N)c3sc(-n4ccnc4)cc23)cc1.COc1ccc(CNc2ncc(C#N)c3sc(I)cc23)cc1.NC(=O)c1cnc(N)c2cc(-n3ccnc3)sc12.O=S(=O)(O)O
InChIInChI=1S/C19H15N5OS.C16H12IN3OS.C11H9N5OS.CH4.H2O4S/c1-25-15-4-2-13(3-5-15)10-22-19-16-8-17(24-7-6-21-12-24)26-18(16)14(9-20)11-23-19;1-21-12-4-2-10(3-5-12)8-19-16-13-6-14(17)22-15(13)11(7-18)9-20-16;12-10-6-3-8(16-2-1-14-5-16)18-9(6)7(4-15-10)11(13)17;;1-5(2,3)4/h2-8,11-12H,10H2,1H3,(H,22,23);2-6,9H,8H2,1H3,(H,19,20);1-5H,(H2,12,15)(H2,13,17);1H4;(H2,1,2,3,4)
InChIKeyQJGIHUOIHGZKPZ-UHFFFAOYSA-N
MW1156.11 g/mol
LogP9.51
Rot. Bonds11

About 4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid

4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid (PubChem CID 160873518) has the molecular formula C47H42IN13O7S4 and a molecular weight of 1156.11 g/mol. Its IUPAC name is 4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid.

Molecular Properties

Compound Name4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid
PubChem CID160873518
Molecular FormulaC47H42IN13O7S4
Molecular Weight1156.11 g/mol
Exact Mass1155.13
IUPAC Name4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid
SMILESC.COc1ccc(CNc2ncc(C#N)c3sc(-n4ccnc4)cc23)cc1.COc1ccc(CNc2ncc(C#N)c3sc(I)cc23)cc1.NC(=O)c1cnc(N)c2cc(-n3ccnc3)sc12.O=S(=O)(O)O
InChIInChI=1S/C19H15N5OS.C16H12IN3OS.C11H9N5OS.CH4.H2O4S/c1-25-15-4-2-13(3-5-15)10-22-19-16-8-17(24-7-6-21-12-24)26-18(16)14(9-20)11-23-19;1-21-12-4-2-10(3-5-12)8-19-16-13-6-14(17)22-15(13)11(7-18)9-20-16;12-10-6-3-8(16-2-1-14-5-16)18-9(6)7(4-15-10)11(13)17;;1-5(2,3)4/h2-8,11-12H,10H2,1H3,(H,22,23);2-6,9H,8H2,1H3,(H,19,20);1-5H,(H2,12,15)(H2,13,17);1H4;(H2,1,2,3,4)
InChIKeyQJGIHUOIHGZKPZ-UHFFFAOYSA-N
XLogP9.51
TPSA308.12 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001156.11
LogP ≤ 59.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid?
The IUPAC name of 4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid (CID 160873518) is 4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid.
What is the SMILES notation for 4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid?
The canonical SMILES for 4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid is C.COc1ccc(CNc2ncc(C#N)c3sc(-n4ccnc4)cc23)cc1.COc1ccc(CNc2ncc(C#N)c3sc(I)cc23)cc1.NC(=O)c1cnc(N)c2cc(-n3ccnc3)sc12.O=S(=O)(O)O.
What is the InChIKey of 4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid?
The InChIKey is QJGIHUOIHGZKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS.C16H12IN3OS.C11H9N5OS.CH4.H2O4S/c1-25-15-4-2-13(3-5-15)10-22-19-16-8-17(24-7-6-21-12-24)26-18(16)14(9-20)11-23-19;1-21-12-4-2-10(3-5-12)8-19-16-13-6-14(17)22-15(13)11(7-18)9-20-16;12-10-6-3-8(16-2-1-14-5-16)18-9(6)7(4-15-10)11(13)17;;1-5(2,3)4/h2-8,11-12H,10H2,1H3,(H,22,23);2-6,9H,8H2,1H3,(H,19,20);1-5H,(H2,12,15)(H2,13,17);1H4;(H2,1,2,3,4).
What are the key properties of 4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid?
4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid has a molecular weight of 1156.11 g/mol, XLogP of 9.51, 11 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-imidazol-1-ylthieno[3,2-c]pyridine-7-carboxamide;2-imidazol-1-yl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-iodo-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid is sourced from PubChem (CID 160873518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).