3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one

C86H82FN19O11S2 — CID 159156594

About 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one

3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one (PubChem CID 159156594) has the molecular formula C86H82FN19O11S2 and a molecular weight of 1640.86 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one.

Molecular Properties

• Compound Name: 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one
• PubChem CID: 159156594
• Molecular Formula: C86H82FN19O11S2
• Molecular Weight: 1640.86 g/mol
• Exact Mass: 1639.59
• IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one
• SMILES: CCC(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.COc1cc(-c2cnc3c(NCc4cccc(S(N)(=O)=O)c4)nccn23)ccc1O.COc1ccc(-c2cnc3c(Nc4ccc(N5CCOCC5)cc4)nccn23)cc1OC.CS(=O)(=O)Nc1cccc(-c2cnc3c(NCc4ccc(F)cc4)nccn23)c1
• InChI: InChI=1S/C24H25N5O3.C22H20N4O2.C20H18FN5O2S.C20H19N5O4S/c1-30-21-8-3-17(15-22(21)31-2)20-16-26-24-23(25-9-10-29(20)24)27-18-4-6-19(7-5-18)28-11-13-32-14-12-28;1-2-20(28)17-5-3-15(4-6-17)13-24-21-22-25-14-19(26(22)12-11-23-21)16-7-9-18(27)10-8-16;1-29(27,28)25-17-4-2-3-15(11-17)18-13-24-20-19(22-9-10-26(18)20)23-12-14-5-7-16(21)8-6-14;1-29-18-10-14(5-6-17(18)26)16-12-24-20-19(22-7-8-25(16)20)23-11-13-3-2-4-15(9-13)30(21,27)28/h3-10,15-16H,11-14H2,1-2H3,(H,25,27);3-12,14,27H,2,13H2,1H3,(H,23,24);2-11,13,25H,12H2,1H3,(H,22,23);2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28)
• InChIKey: KJYVNYOBSWUBEX-UHFFFAOYSA-N
• XLogP: 14.19
• TPSA: 372.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1640.86
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one?

The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one (CID 159156594) is 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one.

What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one?

The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one is CCC(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.COc1cc(-c2cnc3c(NCc4cccc(S(N)(=O)=O)c4)nccn23)ccc1O.COc1ccc(-c2cnc3c(Nc4ccc(N5CCOCC5)cc4)nccn23)cc1OC.CS(=O)(=O)Nc1cccc(-c2cnc3c(NCc4ccc(F)cc4)nccn23)c1.

What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one?

The InChIKey is KJYVNYOBSWUBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3.C22H20N4O2.C20H18FN5O2S.C20H19N5O4S/c1-30-21-8-3-17(15-22(21)31-2)20-16-26-24-23(25-9-10-29(20)24)27-18-4-6-19(7-5-18)28-11-13-32-14-12-28;1-2-20(28)17-5-3-15(4-6-17)13-24-21-22-25-14-19(26(22)12-11-23-21)16-7-9-18(27)10-8-16;1-29(27,28)25-17-4-2-3-15(11-17)18-13-24-20-19(22-9-10-26(18)20)23-12-14-5-7-16(21)8-6-14;1-29-18-10-14(5-6-17(18)26)16-12-24-20-19(22-7-8-25(16)20)23-11-13-3-2-4-15(9-13)30(21,27)28/h3-10,15-16H,11-14H2,1-2H3,(H,25,27);3-12,14,27H,2,13H2,1H3,(H,23,24);2-11,13,25H,12H2,1H3,(H,22,23);2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28).

What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one?

3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one has a molecular weight of 1640.86 g/mol, XLogP of 14.19, 24 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one is sourced from PubChem (CID 159156594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).