2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide

C20H18N6O4S — CID 135931635

IUPAC2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESNC(=O)c1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O
InChIInChI=1S/C20H18N6O4S/c21-18(28)15-9-13(3-6-17(15)27)16-11-25-20-19(23-7-8-26(16)20)24-10-12-1-4-14(5-2-12)31(22,29)30/h1-9,11,27H,10H2,(H2,21,28)(H,23,24)(H2,22,29,30)
InChIKeyGBKQBIIQCCULBC-UHFFFAOYSA-N
MW438.47 g/mol
LogP1.46
Rot. Bonds6

About 2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide

2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 135931635) has the molecular formula C20H18N6O4S and a molecular weight of 438.47 g/mol. Its IUPAC name is 2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID135931635
Molecular FormulaC20H18N6O4S
Molecular Weight438.47 g/mol
Exact Mass438.11
IUPAC Name2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESNC(=O)c1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O
InChIInChI=1S/C20H18N6O4S/c21-18(28)15-9-13(3-6-17(15)27)16-11-25-20-19(23-7-8-26(16)20)24-10-12-1-4-14(5-2-12)31(22,29)30/h1-9,11,27H,10H2,(H2,21,28)(H,23,24)(H2,22,29,30)
InChIKeyGBKQBIIQCCULBC-UHFFFAOYSA-N
XLogP1.46
TPSA165.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide 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 2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of 2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 135931635) is 2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for 2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide is NC(=O)c1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.
What is the InChIKey of 2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is GBKQBIIQCCULBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O4S/c21-18(28)15-9-13(3-6-17(15)27)16-11-25-20-19(23-7-8-26(16)20)24-10-12-1-4-14(5-2-12)31(22,29)30/h1-9,11,27H,10H2,(H2,21,28)(H,23,24)(H2,22,29,30).
What are the key properties of 2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 438.47 g/mol, XLogP of 1.46, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 135931635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).