4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide

C59H54N16O10S3 — CID 160626740

IUPAC4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.NC(=O)c1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4cccc(O)c4)cnc23)cc1
InChIInChI=1S/C20H18N6O4S.C20H19N5O3S.C19H17N5O3S/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;1-13-10-15(4-7-18(13)26)17-12-24-20-19(22-8-9-25(17)20)23-11-14-2-5-16(6-3-14)29(21,27)28;20-28(26,27)16-6-4-13(5-7-16)11-22-18-19-23-12-17(24(19)9-8-21-18)14-2-1-3-15(25)10-14/h1-9,11,27H,10H2,(H2,21,28)(H,23,24)(H2,22,29,30);2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28);1-10,12,25H,11H2,(H,21,22)(H2,20,26,27)
InChIKeyRHKADEMWKZGFMU-UHFFFAOYSA-N
MW1243.38 g/mol
LogP6.49
Rot. Bonds16

About 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide

4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 160626740) has the molecular formula C59H54N16O10S3 and a molecular weight of 1243.38 g/mol. Its IUPAC name is 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound Name4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID160626740
Molecular FormulaC59H54N16O10S3
Molecular Weight1243.38 g/mol
Exact Mass1242.34
IUPAC Name4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.NC(=O)c1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4cccc(O)c4)cnc23)cc1
InChIInChI=1S/C20H18N6O4S.C20H19N5O3S.C19H17N5O3S/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;1-13-10-15(4-7-18(13)26)17-12-24-20-19(22-8-9-25(17)20)23-11-14-2-5-16(6-3-14)29(21,27)28;20-28(26,27)16-6-4-13(5-7-16)11-22-18-19-23-12-17(24(19)9-8-21-18)14-2-1-3-15(25)10-14/h1-9,11,27H,10H2,(H2,21,28)(H,23,24)(H2,22,29,30);2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28);1-10,12,25H,11H2,(H,21,22)(H2,20,26,27)
InChIKeyRHKADEMWKZGFMU-UHFFFAOYSA-N
XLogP6.49
TPSA410.92 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001243.38
LogP ≤ 56.49
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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

Related Compounds

2-Hydroxy-5-[8-(4-sulfamoyl-benzylamino)-imidazo[1,2-a]pyrazin-3-yl]-benzamide
CID 135931635
4-[[[3-(3-Formyl-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135931666
4-[[[3-(4-Fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 157394366
4-[[[3-(3-Cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 158506825
N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenol;4-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid
CID 160517277
4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate
CID 160900655
4-[[[3-(4-Hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one
CID 161322522
4-[[(3,6-dibromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[[[3-(3-fluoro-4-hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide
CID 162191824
2-Hydroxy-5-(6-sulfamoylimidazo[1,2-a]pyridin-2-yl)benzamide
CID 39954653

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 160626740) is 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide is Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.NC(=O)c1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4cccc(O)c4)cnc23)cc1.
What is the InChIKey of 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is RHKADEMWKZGFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O4S.C20H19N5O3S.C19H17N5O3S/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;1-13-10-15(4-7-18(13)26)17-12-24-20-19(22-8-9-25(17)20)23-11-14-2-5-16(6-3-14)29(21,27)28;20-28(26,27)16-6-4-13(5-7-16)11-22-18-19-23-12-17(24(19)9-8-21-18)14-2-1-3-15(25)10-14/h1-9,11,27H,10H2,(H2,21,28)(H,23,24)(H2,22,29,30);2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28);1-10,12,25H,11H2,(H,21,22)(H2,20,26,27).
What are the key properties of 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 1243.38 g/mol, XLogP of 6.49, 16 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 160626740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).