6,8-dibromoimidazo[1,2-a]pyrazine;N-hydroxy-4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide;methyl 4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-formylbenzoate;methyl 4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole

C167H172BBr3N34O19 — CID 160544089

About 6,8-dibromoimidazo[1,2-a]pyrazine;N-hydroxy-4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide;methyl 4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-formylbenzoate;methyl 4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole

6,8-dibromoimidazo[1,2-a]pyrazine;N-hydroxy-4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide;methyl 4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-formylbenzoate;methyl 4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole (PubChem CID 160544089) has the molecular formula C167H172BBr3N34O19 and a molecular weight of 3209.96 g/mol. Its IUPAC name is 6,8-dibromoimidazo[1,2-a]pyrazine;N-hydroxy-4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide;methyl 4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-formylbenzoate;methyl 4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole.

Molecular Properties

• Compound Name: 6,8-dibromoimidazo[1,2-a]pyrazine;N-hydroxy-4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide;methyl 4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-formylbenzoate;methyl 4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
• PubChem CID: 160544089
• Molecular Formula: C167H172BBr3N34O19
• Molecular Weight: 3209.96 g/mol
• Exact Mass: 3205.12
• IUPAC Name: 6,8-dibromoimidazo[1,2-a]pyrazine;N-hydroxy-4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide;methyl 4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-formylbenzoate;methyl 4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
• SMILES: Brc1cn2ccnc2c(Br)n1.CC1(C)OB(c2ccc3c(c2)CN=C3)OC1(C)C.COC(=O)c1ccc(C=O)cc1.COC(=O)c1ccc(CN2CCN(c3ccc(N)cc3)CC2)cc1.COC(=O)c1ccc(CN2CCN(c3ccc(Nc4nc(-c5ccc6c(c5)CN=C6)cn5ccnc45)cc3)CC2)cc1.COC(=O)c1ccc(CN2CCN(c3ccc(Nc4nc(Br)cn5ccnc45)cc3)CC2)cc1.COC(=O)c1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1.O=C(NO)c1ccc(CN2CCN(c3ccc(Nc4nc(-c5ccc6c(c5)CN=C6)cn5ccnc45)cc3)CC2)cc1.O=[N+]([O-])c1ccc(N2CCNCC2)cc1
• InChI: InChI=1S/C33H31N7O2.C32H30N8O2.C25H25BrN6O2.C19H21N3O4.C19H23N3O2.C14H18BNO2.C10H13N3O2.C9H8O3.C6H3Br2N3/c1-42-33(41)24-4-2-23(3-5-24)21-38-14-16-39(17-15-38)29-10-8-28(9-11-29)36-31-32-35-12-13-40(32)22-30(37-31)25-6-7-26-19-34-20-27(26)18-25;41-32(37-42)23-3-1-22(2-4-23)20-38-13-15-39(16-14-38)28-9-7-27(8-10-28)35-30-31-34-11-12-40(31)21-29(36-30)24-5-6-25-18-33-19-26(25)17-24;1-34-25(33)19-4-2-18(3-5-19)16-30-12-14-31(15-13-30)21-8-6-20(7-9-21)28-23-24-27-10-11-32(24)17-22(26)29-23;1-26-19(23)16-4-2-15(3-5-16)14-20-10-12-21(13-11-20)17-6-8-18(9-7-17)22(24)25;1-24-19(23)16-4-2-15(3-5-16)14-21-10-12-22(13-11-21)18-8-6-17(20)7-9-18;1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12;14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12;1-12-9(11)8-4-2-7(6-10)3-5-8;7-4-3-11-2-1-9-6(11)5(8)10-4/h2-13,18-19,22H,14-17,20-21H2,1H3,(H,36,37);1-12,17-18,21,42H,13-16,19-20H2,(H,35,36)(H,37,41);2-11,17H,12-16H2,1H3,(H,28,29);2-9H,10-14H2,1H3;2-9H,10-14,20H2,1H3;5-8H,9H2,1-4H3;1-4,11H,5-8H2;2-6H,1H3;1-3H
• InChIKey: QXELZWGGNVXPBJ-UHFFFAOYSA-N
• XLogP: 25.58
• TPSA: 570.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 50
• Rotatable Bonds: 34
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3209.96
LogP ≤ 5	25.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromoimidazo[1,2-a]pyrazine;N-hydroxy-4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide;methyl 4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-formylbenzoate;methyl 4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The IUPAC name of 6,8-dibromoimidazo[1,2-a]pyrazine;N-hydroxy-4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide;methyl 4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-formylbenzoate;methyl 4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole (CID 160544089) is 6,8-dibromoimidazo[1,2-a]pyrazine;N-hydroxy-4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide;methyl 4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-formylbenzoate;methyl 4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole.

What is the SMILES notation for 6,8-dibromoimidazo[1,2-a]pyrazine;N-hydroxy-4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide;methyl 4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-formylbenzoate;methyl 4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The canonical SMILES for 6,8-dibromoimidazo[1,2-a]pyrazine;N-hydroxy-4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide;methyl 4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-formylbenzoate;methyl 4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole is Brc1cn2ccnc2c(Br)n1.CC1(C)OB(c2ccc3c(c2)CN=C3)OC1(C)C.COC(=O)c1ccc(C=O)cc1.COC(=O)c1ccc(CN2CCN(c3ccc(N)cc3)CC2)cc1.COC(=O)c1ccc(CN2CCN(c3ccc(Nc4nc(-c5ccc6c(c5)CN=C6)cn5ccnc45)cc3)CC2)cc1.COC(=O)c1ccc(CN2CCN(c3ccc(Nc4nc(Br)cn5ccnc45)cc3)CC2)cc1.COC(=O)c1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1.O=C(NO)c1ccc(CN2CCN(c3ccc(Nc4nc(-c5ccc6c(c5)CN=C6)cn5ccnc45)cc3)CC2)cc1.O=[N+]([O-])c1ccc(N2CCNCC2)cc1.

What is the InChIKey of 6,8-dibromoimidazo[1,2-a]pyrazine;N-hydroxy-4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide;methyl 4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-formylbenzoate;methyl 4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The InChIKey is QXELZWGGNVXPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N7O2.C32H30N8O2.C25H25BrN6O2.C19H21N3O4.C19H23N3O2.C14H18BNO2.C10H13N3O2.C9H8O3.C6H3Br2N3/c1-42-33(41)24-4-2-23(3-5-24)21-38-14-16-39(17-15-38)29-10-8-28(9-11-29)36-31-32-35-12-13-40(32)22-30(37-31)25-6-7-26-19-34-20-27(26)18-25;41-32(37-42)23-3-1-22(2-4-23)20-38-13-15-39(16-14-38)28-9-7-27(8-10-28)35-30-31-34-11-12-40(31)21-29(36-30)24-5-6-25-18-33-19-26(25)17-24;1-34-25(33)19-4-2-18(3-5-19)16-30-12-14-31(15-13-30)21-8-6-20(7-9-21)28-23-24-27-10-11-32(24)17-22(26)29-23;1-26-19(23)16-4-2-15(3-5-16)14-20-10-12-21(13-11-20)17-6-8-18(9-7-17)22(24)25;1-24-19(23)16-4-2-15(3-5-16)14-21-10-12-22(13-11-21)18-8-6-17(20)7-9-18;1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12;14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12;1-12-9(11)8-4-2-7(6-10)3-5-8;7-4-3-11-2-1-9-6(11)5(8)10-4/h2-13,18-19,22H,14-17,20-21H2,1H3,(H,36,37);1-12,17-18,21,42H,13-16,19-20H2,(H,35,36)(H,37,41);2-11,17H,12-16H2,1H3,(H,28,29);2-9H,10-14H2,1H3;2-9H,10-14,20H2,1H3;5-8H,9H2,1-4H3;1-4,11H,5-8H2;2-6H,1H3;1-3H.

What are the key properties of 6,8-dibromoimidazo[1,2-a]pyrazine;N-hydroxy-4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide;methyl 4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-formylbenzoate;methyl 4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

6,8-dibromoimidazo[1,2-a]pyrazine;N-hydroxy-4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide;methyl 4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-formylbenzoate;methyl 4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole has a molecular weight of 3209.96 g/mol, XLogP of 25.58, 34 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dibromoimidazo[1,2-a]pyrazine;N-hydroxy-4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide;methyl 4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-formylbenzoate;methyl 4-[[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoate;1-(4-nitrophenyl)piperazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole is sourced from PubChem (CID 160544089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).