4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol

C56H48FN15O6S2 — CID 157394366

About 4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol

4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 157394366) has the molecular formula C56H48FN15O6S2 and a molecular weight of 1110.23 g/mol. Its IUPAC name is 4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

• Compound Name: 4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
• PubChem CID: 157394366
• Molecular Formula: C56H48FN15O6S2
• Molecular Weight: 1110.23 g/mol
• Exact Mass: 1109.33
• IUPAC Name: 4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
• SMILES: NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(F)cc4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.Oc1cccc(-c2cnc3c(NCc4ccncc4)nccn23)c1
• InChI: InChI=1S/C19H16FN5O2S.C19H17N5O3S.C18H15N5O/c20-15-5-3-14(4-6-15)17-12-24-19-18(22-9-10-25(17)19)23-11-13-1-7-16(8-2-13)28(21,26)27;20-28(26,27)16-7-1-13(2-8-16)11-22-18-19-23-12-17(24(19)10-9-21-18)14-3-5-15(25)6-4-14;24-15-3-1-2-14(10-15)16-12-22-18-17(20-8-9-23(16)18)21-11-13-4-6-19-7-5-13/h1-10,12H,11H2,(H,22,23)(H2,21,26,27);1-10,12,25H,11H2,(H,21,22)(H2,20,26,27);1-10,12,24H,11H2,(H,20,21)
• InChIKey: BMJWRWOTBJREHR-UHFFFAOYSA-N
• XLogP: 8.27
• TPSA: 300.33 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1110.23
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of 4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 157394366) is 4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol.

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

The canonical SMILES for 4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol is NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(F)cc4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.Oc1cccc(-c2cnc3c(NCc4ccncc4)nccn23)c1.

What is the InChIKey of 4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?

The InChIKey is BMJWRWOTBJREHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S.C19H17N5O3S.C18H15N5O/c20-15-5-3-14(4-6-15)17-12-24-19-18(22-9-10-25(17)19)23-11-13-1-7-16(8-2-13)28(21,26)27;20-28(26,27)16-7-1-13(2-8-16)11-22-18-19-23-12-17(24(19)10-9-21-18)14-3-5-15(25)6-4-14;24-15-3-1-2-14(10-15)16-12-22-18-17(20-8-9-23(16)18)21-11-13-4-6-19-7-5-13/h1-10,12H,11H2,(H,22,23)(H2,21,26,27);1-10,12,25H,11H2,(H,21,22)(H2,20,26,27);1-10,12,24H,11H2,(H,20,21).

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

4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 1110.23 g/mol, XLogP of 8.27, 14 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[[3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 157394366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).