4-[[[3-(3-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-hydroxyphenyl)-3-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

C85H80FN21O15S4 — CID 159927121

About 4-[[[3-(3-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-hydroxyphenyl)-3-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

4-[[[3-(3-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-hydroxyphenyl)-3-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 159927121) has the molecular formula C85H80FN21O15S4 and a molecular weight of 1782.97 g/mol. Its IUPAC name is 4-[[[3-(3-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-hydroxyphenyl)-3-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[[[3-(3-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-hydroxyphenyl)-3-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
• PubChem CID: 159927121
• Molecular Formula: C85H80FN21O15S4
• Molecular Weight: 1782.97 g/mol
• Exact Mass: 1781.50
• IUPAC Name: 4-[[[3-(3-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-hydroxyphenyl)-3-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
• SMILES: C=C/C=C(\C)c1cnc2c(NCc3ccc(S(N)(=O)=O)cc3)nc(-c3ccc(O)cc3)cn12.COc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nc(C)cn23)ccc1O.Cc1cn2c(-c3ccc(O)c(F)c3)cnc2c(NCc2ccc(S(N)(=O)=O)cc2)n1.Cc1nc2c(NCc3ccc(S(N)(=O)=O)cc3)nccn2c1-c1ccc(O)c([N+](=O)[O-])c1
• InChI: InChI=1S/C24H23N5O3S.C21H21N5O4S.C20H18FN5O3S.C20H18N6O5S/c1-3-4-16(2)22-14-27-24-23(26-13-17-5-11-20(12-6-17)33(25,31)32)28-21(15-29(22)24)18-7-9-19(30)10-8-18;1-13-12-26-17(15-5-8-18(27)19(9-15)30-2)11-24-21(26)20(25-13)23-10-14-3-6-16(7-4-14)31(22,28)29;1-12-11-26-17(14-4-7-18(27)16(21)8-14)10-24-20(26)19(25-12)23-9-13-2-5-15(6-3-13)30(22,28)29;1-12-18(14-4-7-17(27)16(10-14)26(28)29)25-9-8-22-19(20(25)24-12)23-11-13-2-5-15(6-3-13)32(21,30)31/h3-12,14-15,30H,1,13H2,2H3,(H,26,28)(H2,25,31,32);3-9,11-12,27H,10H2,1-2H3,(H,23,25)(H2,22,28,29);2-8,10-11,27H,9H2,1H3,(H,23,25)(H2,22,28,29);2-10,27H,11H2,1H3,(H,22,23)(H2,21,30,31)/b16-4+
• InChIKey: NZDWWOPSCPQAOU-BUXOFBLLSA-N
• XLogP: 12.02
• TPSA: 542.81 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1782.97
LogP ≤ 5	12.02
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(3-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-hydroxyphenyl)-3-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?

The IUPAC name of 4-[[[3-(3-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-hydroxyphenyl)-3-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 159927121) is 4-[[[3-(3-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-hydroxyphenyl)-3-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

What is the SMILES notation for 4-[[[3-(3-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-hydroxyphenyl)-3-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?

The canonical SMILES for 4-[[[3-(3-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-hydroxyphenyl)-3-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is C=C/C=C(\C)c1cnc2c(NCc3ccc(S(N)(=O)=O)cc3)nc(-c3ccc(O)cc3)cn12.COc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nc(C)cn23)ccc1O.Cc1cn2c(-c3ccc(O)c(F)c3)cnc2c(NCc2ccc(S(N)(=O)=O)cc2)n1.Cc1nc2c(NCc3ccc(S(N)(=O)=O)cc3)nccn2c1-c1ccc(O)c([N+](=O)[O-])c1.

What is the InChIKey of 4-[[[3-(3-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-hydroxyphenyl)-3-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?

The InChIKey is NZDWWOPSCPQAOU-BUXOFBLLSA-N. The full InChI is InChI=1S/C24H23N5O3S.C21H21N5O4S.C20H18FN5O3S.C20H18N6O5S/c1-3-4-16(2)22-14-27-24-23(26-13-17-5-11-20(12-6-17)33(25,31)32)28-21(15-29(22)24)18-7-9-19(30)10-8-18;1-13-12-26-17(15-5-8-18(27)19(9-15)30-2)11-24-21(26)20(25-13)23-10-14-3-6-16(7-4-14)31(22,28)29;1-12-11-26-17(14-4-7-18(27)16(21)8-14)10-24-20(26)19(25-12)23-9-13-2-5-15(6-3-13)30(22,28)29;1-12-18(14-4-7-17(27)16(10-14)26(28)29)25-9-8-22-19(20(25)24-12)23-11-13-2-5-15(6-3-13)32(21,30)31/h3-12,14-15,30H,1,13H2,2H3,(H,26,28)(H2,25,31,32);3-9,11-12,27H,10H2,1-2H3,(H,23,25)(H2,22,28,29);2-8,10-11,27H,9H2,1H3,(H,23,25)(H2,22,28,29);2-10,27H,11H2,1H3,(H,22,23)(H2,21,30,31)/b16-4+;;;.

What are the key properties of 4-[[[3-(3-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-hydroxyphenyl)-3-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?

4-[[[3-(3-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-hydroxyphenyl)-3-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide has a molecular weight of 1782.97 g/mol, XLogP of 12.02, 24 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[[3-(3-fluoro-4-hydroxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-nitrophenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-hydroxyphenyl)-3-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 159927121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).