N-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide

C20H21N3OS — CID 91924430

IUPACN-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCc2ncc(-c3ccsc3)n2C1
InChIInChI=1S/C20H21N3OS/c24-20(21-10-8-15-4-2-1-3-5-15)16-6-7-19-22-12-18(23(19)13-16)17-9-11-25-14-17/h1-5,9,11-12,14,16H,6-8,10,13H2,(H,21,24)
InChIKeyYIFIENXNSDLZPW-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.53
Rot. Bonds5

About N-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide

N-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 91924430) has the molecular formula C20H21N3OS and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID91924430
Molecular FormulaC20H21N3OS
Molecular Weight351.47 g/mol
Exact Mass351.14
IUPAC NameN-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCc2ncc(-c3ccsc3)n2C1
InChIInChI=1S/C20H21N3OS/c24-20(21-10-8-15-4-2-1-3-5-15)16-6-7-19-22-12-18(23(19)13-16)17-9-11-25-14-17/h1-5,9,11-12,14,16H,6-8,10,13H2,(H,21,24)
InChIKeyYIFIENXNSDLZPW-UHFFFAOYSA-N
XLogP3.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-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 N-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide (CID 91924430) is N-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide is O=C(NCCc1ccccc1)C1CCc2ncc(-c3ccsc3)n2C1.
What is the InChIKey of N-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is YIFIENXNSDLZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c24-20(21-10-8-15-4-2-1-3-5-15)16-6-7-19-22-12-18(23(19)13-16)17-9-11-25-14-17/h1-5,9,11-12,14,16H,6-8,10,13H2,(H,21,24).
What are the key properties of N-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
N-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 91924430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).