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

C40H34N12O7S2 — CID 158506825

IUPAC4-[[[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
SMILESN#Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.NC(=O)c1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O
InChIInChI=1S/C20H18N6O4S.C20H16N6O3S/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;21-10-15-9-14(3-6-18(15)27)17-12-25-20-19(23-7-8-26(17)20)24-11-13-1-4-16(5-2-13)30(22,28)29/h1-9,11,27H,10H2,(H2,21,28)(H,23,24)(H2,22,29,30);1-9,12,27H,11H2,(H,23,24)(H2,22,28,29)
InChIKeyHKOGHSPQNSJXSF-UHFFFAOYSA-N
MW858.92 g/mol
LogP3.69
Rot. Bonds11

About 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

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 (PubChem CID 158506825) has the molecular formula C40H34N12O7S2 and a molecular weight of 858.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[[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
PubChem CID158506825
Molecular FormulaC40H34N12O7S2
Molecular Weight858.92 g/mol
Exact Mass858.21
IUPAC Name4-[[[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
SMILESN#Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.NC(=O)c1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O
InChIInChI=1S/C20H18N6O4S.C20H16N6O3S/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;21-10-15-9-14(3-6-18(15)27)17-12-25-20-19(23-7-8-26(17)20)24-11-13-1-4-16(5-2-13)30(22,28)29/h1-9,11,27H,10H2,(H2,21,28)(H,23,24)(H2,22,29,30);1-9,12,27H,11H2,(H,23,24)(H2,22,28,29)
InChIKeyHKOGHSPQNSJXSF-UHFFFAOYSA-N
XLogP3.69
TPSA312.10 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500858.92
LogP ≤ 53.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

4-{[3-(3-Cyano-4-hydroxy-phenyl)-imidazo[1,2-a]pyrazin-8-ylamino]-methyl}-benzenesulfonamide
CID 135931629
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
2-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5-tritylpyrrolo[2,3-b]pyrazin-7-yl]benzamide
CID 157072576
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
4-[[[3-(4-Hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 162047750
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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.NC(=O)c1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.
What is the InChIKey of 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?
The InChIKey is HKOGHSPQNSJXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O4S.C20H16N6O3S/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;21-10-15-9-14(3-6-18(15)27)17-12-25-20-19(23-7-8-26(17)20)24-11-13-1-4-16(5-2-13)30(22,28)29/h1-9,11,27H,10H2,(H2,21,28)(H,23,24)(H2,22,29,30);1-9,12,27H,11H2,(H,23,24)(H2,22,28,29).
What are the key properties of 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?
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 has a molecular weight of 858.92 g/mol, XLogP of 3.69, 11 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158506825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).