4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol

C114H106FN31O15S5 — CID 161280250

IUPAC4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1ccc(-c2cnc3c(NCCS(N)(=O)=O)nccn23)cc1OC.CS(=O)(=O)Nc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1.Cc1cccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)c1.N#Cc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.NS(=O)(=O)c1cccc(CNc2nccn3c(-c4ccc(O)c(F)c4)cnc23)c1.Nc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1
InChIInChI=1S/C20H20N6O4S2.C20H15N5O.C20H18N4O.C19H16FN5O3S.C19H18N6O2S.C16H19N5O4S/c1-31(27,28)25-16-6-4-15(5-7-16)18-13-24-20-19(22-10-11-26(18)20)23-12-14-2-8-17(9-3-14)32(21,29)30;21-11-14-1-3-15(4-2-14)12-23-19-20-24-13-18(25(20)10-9-22-19)16-5-7-17(26)8-6-16;1-14-3-2-4-15(11-14)12-22-19-20-23-13-18(24(20)10-9-21-19)16-5-7-17(25)8-6-16;20-15-9-13(4-5-17(15)26)16-11-24-19-18(22-6-7-25(16)19)23-10-12-2-1-3-14(8-12)29(21,27)28;20-15-5-3-14(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;1-24-13-4-3-11(9-14(13)25-2)12-10-20-16-15(18-5-7-21(12)16)19-6-8-26(17,22)23/h2-11,13,25H,12H2,1H3,(H,22,23)(H2,21,29,30);1-10,13,26H,12H2,(H,22,23);2-11,13,25H,12H2,1H3,(H,21,22);1-9,11,26H,10H2,(H,22,23)(H2,21,27,28);1-10,12H,11,20H2,(H,22,23)(H2,21,26,27);3-5,7,9-10H,6,8H2,1-2H3,(H,18,19)(H2,17,22,23)
InChIKeyVEZDVJXHLVNDQG-UHFFFAOYSA-N
MW2329.64 g/mol
LogP15.49
Rot. Bonds32

About 4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol

4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 161280250) has the molecular formula C114H106FN31O15S5 and a molecular weight of 2329.64 g/mol. Its IUPAC name is 4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID161280250
Molecular FormulaC114H106FN31O15S5
Molecular Weight2329.64 g/mol
Exact Mass2327.71
IUPAC Name4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1ccc(-c2cnc3c(NCCS(N)(=O)=O)nccn23)cc1OC.CS(=O)(=O)Nc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1.Cc1cccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)c1.N#Cc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.NS(=O)(=O)c1cccc(CNc2nccn3c(-c4ccc(O)c(F)c4)cnc23)c1.Nc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1
InChIInChI=1S/C20H20N6O4S2.C20H15N5O.C20H18N4O.C19H16FN5O3S.C19H18N6O2S.C16H19N5O4S/c1-31(27,28)25-16-6-4-15(5-7-16)18-13-24-20-19(22-10-11-26(18)20)23-12-14-2-8-17(9-3-14)32(21,29)30;21-11-14-1-3-15(4-2-14)12-23-19-20-24-13-18(25(20)10-9-22-19)16-5-7-17(26)8-6-16;1-14-3-2-4-15(11-14)12-22-19-20-23-13-18(24(20)10-9-21-19)16-5-7-17(25)8-6-16;20-15-9-13(4-5-17(15)26)16-11-24-19-18(22-6-7-25(16)19)23-10-12-2-1-3-14(8-12)29(21,27)28;20-15-5-3-14(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;1-24-13-4-3-11(9-14(13)25-2)12-10-20-16-15(18-5-7-21(12)16)19-6-8-26(17,22)23/h2-11,13,25H,12H2,1H3,(H,22,23)(H2,21,29,30);1-10,13,26H,12H2,(H,22,23);2-11,13,25H,12H2,1H3,(H,21,22);1-9,11,26H,10H2,(H,22,23)(H2,21,27,28);1-10,12H,11,20H2,(H,22,23)(H2,21,26,27);3-5,7,9-10H,6,8H2,1-2H3,(H,18,19)(H2,17,22,23)
InChIKeyVEZDVJXHLVNDQG-UHFFFAOYSA-N
XLogP15.49
TPSA669.09 Ų
H-Bond Donors15
H-Bond Acceptors41
Rotatable Bonds32
Heavy Atoms166
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002329.64
LogP ≤ 515.49
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 161280250) is 4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol is COc1ccc(-c2cnc3c(NCCS(N)(=O)=O)nccn23)cc1OC.CS(=O)(=O)Nc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1.Cc1cccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)c1.N#Cc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.NS(=O)(=O)c1cccc(CNc2nccn3c(-c4ccc(O)c(F)c4)cnc23)c1.Nc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1.
What is the InChIKey of 4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is VEZDVJXHLVNDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4S2.C20H15N5O.C20H18N4O.C19H16FN5O3S.C19H18N6O2S.C16H19N5O4S/c1-31(27,28)25-16-6-4-15(5-7-16)18-13-24-20-19(22-10-11-26(18)20)23-12-14-2-8-17(9-3-14)32(21,29)30;21-11-14-1-3-15(4-2-14)12-23-19-20-24-13-18(25(20)10-9-22-19)16-5-7-17(26)8-6-16;1-14-3-2-4-15(11-14)12-22-19-20-23-13-18(24(20)10-9-21-19)16-5-7-17(25)8-6-16;20-15-9-13(4-5-17(15)26)16-11-24-19-18(22-6-7-25(16)19)23-10-12-2-1-3-14(8-12)29(21,27)28;20-15-5-3-14(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;1-24-13-4-3-11(9-14(13)25-2)12-10-20-16-15(18-5-7-21(12)16)19-6-8-26(17,22)23/h2-11,13,25H,12H2,1H3,(H,22,23)(H2,21,29,30);1-10,13,26H,12H2,(H,22,23);2-11,13,25H,12H2,1H3,(H,21,22);1-9,11,26H,10H2,(H,22,23)(H2,21,27,28);1-10,12H,11,20H2,(H,22,23)(H2,21,26,27);3-5,7,9-10H,6,8H2,1-2H3,(H,18,19)(H2,17,22,23).
What are the key properties of 4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 2329.64 g/mol, XLogP of 15.49, 32 rotatable bonds, 15 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethanesulfonamide;3-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 161280250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).