4-[[[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[5-(hydroxymethyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol

C96H88FN23O13S5 — CID 158374414

About 4-[[[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[5-(hydroxymethyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol

4-[[[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[5-(hydroxymethyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 158374414) has the molecular formula C96H88FN23O13S5 and a molecular weight of 1951.24 g/mol. Its IUPAC name is 4-[[[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[5-(hydroxymethyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

• Compound Name: 4-[[[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[5-(hydroxymethyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
• PubChem CID: 158374414
• Molecular Formula: C96H88FN23O13S5
• Molecular Weight: 1951.24 g/mol
• Exact Mass: 1949.55
• IUPAC Name: 4-[[[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[5-(hydroxymethyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
• SMILES: COc1cc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc(OC)c1OC.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(CO)s4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4cccc(CO)c4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4cccc(F)c4)cnc23)cc1.Oc1ccc(-c2cnc3c(NCc4cccs4)nccn23)cc1
• InChI: InChI=1S/C22H22N4O4.C20H19N5O3S.C19H16FN5O2S.C18H17N5O3S2.C17H14N4OS/c1-28-18-10-14(11-19(29-2)20(18)30-3)12-24-21-22-25-13-17(26(22)9-8-23-21)15-4-6-16(27)7-5-15;21-29(27,28)17-6-4-14(5-7-17)11-23-19-20-24-12-18(25(20)9-8-22-19)16-3-1-2-15(10-16)13-26;20-15-3-1-2-14(10-15)17-12-24-19-18(22-8-9-25(17)19)23-11-13-4-6-16(7-5-13)28(21,26)27;19-28(25,26)14-4-1-12(2-5-14)9-21-17-18-22-10-15(23(18)8-7-20-17)16-6-3-13(11-24)27-16;22-13-5-3-12(4-6-13)15-11-20-17-16(18-7-8-21(15)17)19-10-14-2-1-9-23-14/h4-11,13,27H,12H2,1-3H3,(H,23,24);1-10,12,26H,11,13H2,(H,22,23)(H2,21,27,28);1-10,12H,11H2,(H,22,23)(H2,21,26,27);1-8,10,24H,9,11H2,(H,20,21)(H2,19,25,26);1-9,11,22H,10H2,(H,18,19)
• InChIKey: GVABFFGNCGBCHQ-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 500.19 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1951.24
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[5-(hydroxymethyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?

The IUPAC name of 4-[[[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[5-(hydroxymethyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 158374414) is 4-[[[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[5-(hydroxymethyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol.

What is the SMILES notation for 4-[[[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[5-(hydroxymethyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?

The canonical SMILES for 4-[[[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[5-(hydroxymethyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol is COc1cc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc(OC)c1OC.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(CO)s4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4cccc(CO)c4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4cccc(F)c4)cnc23)cc1.Oc1ccc(-c2cnc3c(NCc4cccs4)nccn23)cc1.

What is the InChIKey of 4-[[[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[5-(hydroxymethyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?

The InChIKey is GVABFFGNCGBCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4.C20H19N5O3S.C19H16FN5O2S.C18H17N5O3S2.C17H14N4OS/c1-28-18-10-14(11-19(29-2)20(18)30-3)12-24-21-22-25-13-17(26(22)9-8-23-21)15-4-6-16(27)7-5-15;21-29(27,28)17-6-4-14(5-7-17)11-23-19-20-24-12-18(25(20)9-8-22-19)16-3-1-2-15(10-16)13-26;20-15-3-1-2-14(10-15)17-12-24-19-18(22-8-9-25(17)19)23-11-13-4-6-16(7-5-13)28(21,26)27;19-28(25,26)14-4-1-12(2-5-14)9-21-17-18-22-10-15(23(18)8-7-20-17)16-6-3-13(11-24)27-16;22-13-5-3-12(4-6-13)15-11-20-17-16(18-7-8-21(15)17)19-10-14-2-1-9-23-14/h4-11,13,27H,12H2,1-3H3,(H,23,24);1-10,12,26H,11,13H2,(H,22,23)(H2,21,27,28);1-10,12H,11H2,(H,22,23)(H2,21,26,27);1-8,10,24H,9,11H2,(H,20,21)(H2,19,25,26);1-9,11,22H,10H2,(H,18,19).

What are the key properties of 4-[[[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[5-(hydroxymethyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?

4-[[[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[5-(hydroxymethyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 1951.24 g/mol, XLogP of 14.67, 28 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[[3-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[5-(hydroxymethyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 158374414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).