4-aminobenzoic acid;4-amino-N-(oxan-2-yloxy)benzamide;4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-(oxan-2-yloxy)benzamide;6,8-dibromoimidazo[1,2-a]pyrazine;hydron;N-hydroxy-4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide;4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(oxan-2-yloxy)benzamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole

C104H103BBr3N24O15+ — CID 158293902

About 4-aminobenzoic acid;4-amino-N-(oxan-2-yloxy)benzamide;4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-(oxan-2-yloxy)benzamide;6,8-dibromoimidazo[1,2-a]pyrazine;hydron;N-hydroxy-4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide;4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(oxan-2-yloxy)benzamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole

4-aminobenzoic acid;4-amino-N-(oxan-2-yloxy)benzamide;4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-(oxan-2-yloxy)benzamide;6,8-dibromoimidazo[1,2-a]pyrazine;hydron;N-hydroxy-4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide;4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(oxan-2-yloxy)benzamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole (PubChem CID 158293902) has the molecular formula C104H103BBr3N24O15+ and a molecular weight of 2179.64 g/mol. Its IUPAC name is 4-aminobenzoic acid;4-amino-N-(oxan-2-yloxy)benzamide;4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-(oxan-2-yloxy)benzamide;6,8-dibromoimidazo[1,2-a]pyrazine;hydron;N-hydroxy-4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide;4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(oxan-2-yloxy)benzamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole.

Molecular Properties

• Compound Name: 4-aminobenzoic acid;4-amino-N-(oxan-2-yloxy)benzamide;4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-(oxan-2-yloxy)benzamide;6,8-dibromoimidazo[1,2-a]pyrazine;hydron;N-hydroxy-4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide;4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(oxan-2-yloxy)benzamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
• PubChem CID: 158293902
• Molecular Formula: C104H103BBr3N24O15+
• Molecular Weight: 2179.64 g/mol
• Exact Mass: 2175.57
• IUPAC Name: 4-aminobenzoic acid;4-amino-N-(oxan-2-yloxy)benzamide;4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-(oxan-2-yloxy)benzamide;6,8-dibromoimidazo[1,2-a]pyrazine;hydron;N-hydroxy-4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide;4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(oxan-2-yloxy)benzamide;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.Nc1ccc(C(=O)NOC2CCCCO2)cc1.Nc1ccc(C(=O)O)cc1.O=C(NO)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.O=C(NOC1CCCCO1)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.O=C(NOC1CCCCO1)c1ccc(Nc2nc(Br)cn3ccnc23)cc1.[H+]
• InChI: InChI=1S/C26H24N6O3.C21H16N6O2.C18H18BrN5O3.C14H18BNO2.C12H16N2O3.C7H7NO2.C6H3Br2N3/c33-26(31-35-23-3-1-2-12-34-23)17-6-8-21(9-7-17)29-24-25-28-10-11-32(25)16-22(30-24)18-4-5-19-14-27-15-20(19)13-18;28-21(26-29)13-3-5-17(6-4-13)24-19-20-23-7-8-27(20)12-18(25-19)14-1-2-15-10-22-11-16(15)9-14;19-14-11-24-9-8-20-17(24)16(22-14)21-13-6-4-12(5-7-13)18(25)23-27-15-3-1-2-10-26-15;1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12;13-10-6-4-9(5-7-10)12(15)14-17-11-3-1-2-8-16-11;8-6-3-1-5(2-4-6)7(9)10;7-4-3-11-2-1-9-6(11)5(8)10-4/h4-11,13-14,16,23H,1-3,12,15H2,(H,29,30)(H,31,33);1-10,12,29H,11H2,(H,24,25)(H,26,28);4-9,11,15H,1-3,10H2,(H,21,22)(H,23,25);5-8H,9H2,1-4H3;4-7,11H,1-3,8,13H2,(H,14,15);1-4H,8H2,(H,9,10);1-3H/p+1
• InChIKey: GLRJCWGTIPPBAW-UHFFFAOYSA-O
• XLogP: 17.58
• TPSA: 493.74 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 20
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2179.64
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzoic acid;4-amino-N-(oxan-2-yloxy)benzamide;4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-(oxan-2-yloxy)benzamide;6,8-dibromoimidazo[1,2-a]pyrazine;hydron;N-hydroxy-4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide;4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(oxan-2-yloxy)benzamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The IUPAC name of 4-aminobenzoic acid;4-amino-N-(oxan-2-yloxy)benzamide;4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-(oxan-2-yloxy)benzamide;6,8-dibromoimidazo[1,2-a]pyrazine;hydron;N-hydroxy-4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide;4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(oxan-2-yloxy)benzamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole (CID 158293902) is 4-aminobenzoic acid;4-amino-N-(oxan-2-yloxy)benzamide;4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-(oxan-2-yloxy)benzamide;6,8-dibromoimidazo[1,2-a]pyrazine;hydron;N-hydroxy-4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide;4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(oxan-2-yloxy)benzamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole.

What is the SMILES notation for 4-aminobenzoic acid;4-amino-N-(oxan-2-yloxy)benzamide;4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-(oxan-2-yloxy)benzamide;6,8-dibromoimidazo[1,2-a]pyrazine;hydron;N-hydroxy-4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide;4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(oxan-2-yloxy)benzamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The canonical SMILES for 4-aminobenzoic acid;4-amino-N-(oxan-2-yloxy)benzamide;4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-(oxan-2-yloxy)benzamide;6,8-dibromoimidazo[1,2-a]pyrazine;hydron;N-hydroxy-4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide;4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(oxan-2-yloxy)benzamide;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.Nc1ccc(C(=O)NOC2CCCCO2)cc1.Nc1ccc(C(=O)O)cc1.O=C(NO)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.O=C(NOC1CCCCO1)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.O=C(NOC1CCCCO1)c1ccc(Nc2nc(Br)cn3ccnc23)cc1.[H+].

What is the InChIKey of 4-aminobenzoic acid;4-amino-N-(oxan-2-yloxy)benzamide;4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-(oxan-2-yloxy)benzamide;6,8-dibromoimidazo[1,2-a]pyrazine;hydron;N-hydroxy-4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide;4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(oxan-2-yloxy)benzamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The InChIKey is GLRJCWGTIPPBAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H24N6O3.C21H16N6O2.C18H18BrN5O3.C14H18BNO2.C12H16N2O3.C7H7NO2.C6H3Br2N3/c33-26(31-35-23-3-1-2-12-34-23)17-6-8-21(9-7-17)29-24-25-28-10-11-32(25)16-22(30-24)18-4-5-19-14-27-15-20(19)13-18;28-21(26-29)13-3-5-17(6-4-13)24-19-20-23-7-8-27(20)12-18(25-19)14-1-2-15-10-22-11-16(15)9-14;19-14-11-24-9-8-20-17(24)16(22-14)21-13-6-4-12(5-7-13)18(25)23-27-15-3-1-2-10-26-15;1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12;13-10-6-4-9(5-7-10)12(15)14-17-11-3-1-2-8-16-11;8-6-3-1-5(2-4-6)7(9)10;7-4-3-11-2-1-9-6(11)5(8)10-4/h4-11,13-14,16,23H,1-3,12,15H2,(H,29,30)(H,31,33);1-10,12,29H,11H2,(H,24,25)(H,26,28);4-9,11,15H,1-3,10H2,(H,21,22)(H,23,25);5-8H,9H2,1-4H3;4-7,11H,1-3,8,13H2,(H,14,15);1-4H,8H2,(H,9,10);1-3H/p+1.

What are the key properties of 4-aminobenzoic acid;4-amino-N-(oxan-2-yloxy)benzamide;4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-(oxan-2-yloxy)benzamide;6,8-dibromoimidazo[1,2-a]pyrazine;hydron;N-hydroxy-4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide;4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(oxan-2-yloxy)benzamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

4-aminobenzoic acid;4-amino-N-(oxan-2-yloxy)benzamide;4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-(oxan-2-yloxy)benzamide;6,8-dibromoimidazo[1,2-a]pyrazine;hydron;N-hydroxy-4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide;4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(oxan-2-yloxy)benzamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole has a molecular weight of 2179.64 g/mol, XLogP of 17.58, 20 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminobenzoic acid;4-amino-N-(oxan-2-yloxy)benzamide;4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-(oxan-2-yloxy)benzamide;6,8-dibromoimidazo[1,2-a]pyrazine;hydron;N-hydroxy-4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide;4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(oxan-2-yloxy)benzamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole is sourced from PubChem (CID 158293902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).