4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide

C25H24N4O2S — CID 56925358

IUPAC4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide
SMILESNc1ncc(C(=O)NCc2ccccc2)c2sc(-c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C25H24N4O2S/c26-24-20-14-22(18-6-8-19(9-7-18)29-10-12-31-13-11-29)32-23(20)21(16-27-24)25(30)28-15-17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2,(H2,26,27)(H,28,30)
InChIKeyYRJVKIRTSBKFQV-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.31
Rot. Bonds5

About 4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide

4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 56925358) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is 4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide
PubChem CID56925358
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC Name4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide
SMILESNc1ncc(C(=O)NCc2ccccc2)c2sc(-c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C25H24N4O2S/c26-24-20-14-22(18-6-8-19(9-7-18)29-10-12-31-13-11-29)32-23(20)21(16-27-24)25(30)28-15-17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2,(H2,26,27)(H,28,30)
InChIKeyYRJVKIRTSBKFQV-UHFFFAOYSA-N
XLogP4.31
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide 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-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide (CID 56925358) is 4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide is Nc1ncc(C(=O)NCc2ccccc2)c2sc(-c3ccc(N4CCOCC4)cc3)cc12.
What is the InChIKey of 4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is YRJVKIRTSBKFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c26-24-20-14-22(18-6-8-19(9-7-18)29-10-12-31-13-11-29)32-23(20)21(16-27-24)25(30)28-15-17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2,(H2,26,27)(H,28,30).
What are the key properties of 4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide?
4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 56925358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).