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

C53H48Br2FN15O8S3 — CID 162191824

About 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

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 (PubChem CID 162191824) has the molecular formula C53H48Br2FN15O8S3 and a molecular weight of 1298.07 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162191824
• Molecular Formula: C53H48Br2FN15O8S3
• Molecular Weight: 1298.07 g/mol
• Exact Mass: 1295.13
• IUPAC Name: 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
• SMILES: CNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.Cc1nc2c(NCc3ccc(S(N)(=O)=O)cc3)nccn2c1-c1ccc(O)c(F)c1.NS(=O)(=O)c1ccc(CNc2nc(Br)cn3c(Br)cnc23)cc1
• InChI: InChI=1S/C20H18FN5O3S.C20H19N5O3S.C13H11Br2N5O2S/c1-12-18(14-4-7-17(27)16(21)10-14)26-9-8-23-19(20(26)25-12)24-11-13-2-5-15(6-3-13)30(22,28)29;1-21-29(27,28)17-8-2-14(3-9-17)12-23-19-20-24-13-18(25(20)11-10-22-19)15-4-6-16(26)7-5-15;14-10-7-20-11(15)6-18-13(20)12(19-10)17-5-8-1-3-9(4-2-8)23(16,21)22/h2-10,27H,11H2,1H3,(H,23,24)(H2,22,28,29);2-11,13,21,26H,12H2,1H3,(H,22,23);1-4,6-7H,5H2,(H,17,19)(H2,16,21,22)
• InChIKey: ZQKFNIPKDUATNZ-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 333.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1298.07
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.Cc1nc2c(NCc3ccc(S(N)(=O)=O)cc3)nccn2c1-c1ccc(O)c(F)c1.NS(=O)(=O)c1ccc(CNc2nc(Br)cn3c(Br)cnc23)cc1.

What is the InChIKey of 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?

The InChIKey is ZQKFNIPKDUATNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3S.C20H19N5O3S.C13H11Br2N5O2S/c1-12-18(14-4-7-17(27)16(21)10-14)26-9-8-23-19(20(26)25-12)24-11-13-2-5-15(6-3-13)30(22,28)29;1-21-29(27,28)17-8-2-14(3-9-17)12-23-19-20-24-13-18(25(20)11-10-22-19)15-4-6-16(26)7-5-15;14-10-7-20-11(15)6-18-13(20)12(19-10)17-5-8-1-3-9(4-2-8)23(16,21)22/h2-10,27H,11H2,1H3,(H,23,24)(H2,22,28,29);2-11,13,21,26H,12H2,1H3,(H,22,23);1-4,6-7H,5H2,(H,17,19)(H2,16,21,22).

What are the key properties of 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?

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 has a molecular weight of 1298.07 g/mol, XLogP of 7.94, 15 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 162191824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).