4-[[[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol

C59H55N15O7S2 — CID 157323305

About 4-[[[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol

4-[[[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 157323305) has the molecular formula C59H55N15O7S2 and a molecular weight of 1150.32 g/mol. Its IUPAC name is 4-[[[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

• Compound Name: 4-[[[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
• PubChem CID: 157323305
• Molecular Formula: C59H55N15O7S2
• Molecular Weight: 1150.32 g/mol
• Exact Mass: 1149.39
• IUPAC Name: 4-[[[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
• SMILES: COc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(CO)cc4)cnc23)cc1.Oc1ccc(-c2cnc3c(NCCc4ccncc4)nccn23)cc1
• InChI: InChI=1S/2C20H19N5O3S.C19H17N5O/c1-28-16-6-4-15(5-7-16)18-13-24-20-19(22-10-11-25(18)20)23-12-14-2-8-17(9-3-14)29(21,26)27;21-29(27,28)17-7-3-14(4-8-17)11-23-19-20-24-12-18(25(20)10-9-22-19)16-5-1-15(13-26)2-6-16;25-16-3-1-15(2-4-16)17-13-23-19-18(22-11-12-24(17)19)21-10-7-14-5-8-20-9-6-14/h2-11,13H,12H2,1H3,(H,22,23)(H2,21,26,27);1-10,12,26H,11,13H2,(H,22,23)(H2,21,27,28);1-6,8-9,11-13,25H,7,10H2,(H,21,22)
• InChIKey: BEKRIKLACHCWJW-UHFFFAOYSA-N
• XLogP: 7.96
• TPSA: 309.56 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1150.32
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?

The IUPAC name of 4-[[[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 157323305) is 4-[[[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol.

What is the SMILES notation for 4-[[[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?

The canonical SMILES for 4-[[[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol is COc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(CO)cc4)cnc23)cc1.Oc1ccc(-c2cnc3c(NCCc4ccncc4)nccn23)cc1.

What is the InChIKey of 4-[[[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?

The InChIKey is BEKRIKLACHCWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H19N5O3S.C19H17N5O/c1-28-16-6-4-15(5-7-16)18-13-24-20-19(22-10-11-25(18)20)23-12-14-2-8-17(9-3-14)29(21,26)27;21-29(27,28)17-7-3-14(4-8-17)11-23-19-20-24-12-18(25(20)10-9-22-19)16-5-1-15(13-26)2-6-16;25-16-3-1-15(2-4-16)17-13-23-19-18(22-11-12-24(17)19)21-10-7-14-5-8-20-9-6-14/h2-11,13H,12H2,1H3,(H,22,23)(H2,21,26,27);1-10,12,26H,11,13H2,(H,22,23)(H2,21,27,28);1-6,8-9,11-13,25H,7,10H2,(H,21,22).

What are the key properties of 4-[[[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?

4-[[[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 1150.32 g/mol, XLogP of 7.96, 17 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 157323305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).