4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide

C26H24N6O4S — CID 123133248

IUPAC4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)cc1
InChIInChI=1S/C26H24N6O4S/c27-37(33,34)21-8-5-19(6-9-21)23-15-28-25(31-11-13-35-14-12-31)26-29-20(16-32(23)26)17-36-24-10-7-18-3-1-2-4-22(18)30-24/h1-10,15-16H,11-14,17H2,(H2,27,33,34)
InChIKeyWDWYBOGKILPTDB-UHFFFAOYSA-N
MW516.58 g/mol
LogP3.01
Rot. Bonds6

About 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide

4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide (PubChem CID 123133248) has the molecular formula C26H24N6O4S and a molecular weight of 516.58 g/mol. Its IUPAC name is 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide
PubChem CID123133248
Molecular FormulaC26H24N6O4S
Molecular Weight516.58 g/mol
Exact Mass516.16
IUPAC Name4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)cc1
InChIInChI=1S/C26H24N6O4S/c27-37(33,34)21-8-5-19(6-9-21)23-15-28-25(31-11-13-35-14-12-31)26-29-20(16-32(23)26)17-36-24-10-7-18-3-1-2-4-22(18)30-24/h1-10,15-16H,11-14,17H2,(H2,27,33,34)
InChIKeyWDWYBOGKILPTDB-UHFFFAOYSA-N
XLogP3.01
TPSA124.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.58
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide 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-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide?
The IUPAC name of 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide (CID 123133248) is 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)cc1.
What is the InChIKey of 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide?
The InChIKey is WDWYBOGKILPTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4S/c27-37(33,34)21-8-5-19(6-9-21)23-15-28-25(31-11-13-35-14-12-31)26-29-20(16-32(23)26)17-36-24-10-7-18-3-1-2-4-22(18)30-24/h1-10,15-16H,11-14,17H2,(H2,27,33,34).
What are the key properties of 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide?
4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide has a molecular weight of 516.58 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide is sourced from PubChem (CID 123133248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).