4-amino-N-(oxan-2-yloxy)benzamide;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(oxan-2-yloxycarbamoyl)phenyl]benzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

C129H132BBrN26O20 — CID 158309361

About 4-amino-N-(oxan-2-yloxy)benzamide;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(oxan-2-yloxycarbamoyl)phenyl]benzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

4-amino-N-(oxan-2-yloxy)benzamide;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(oxan-2-yloxycarbamoyl)phenyl]benzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (PubChem CID 158309361) has the molecular formula C129H132BBrN26O20 and a molecular weight of 2457.35 g/mol. Its IUPAC name is 4-amino-N-(oxan-2-yloxy)benzamide;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(oxan-2-yloxycarbamoyl)phenyl]benzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid.

Molecular Properties

• Compound Name: 4-amino-N-(oxan-2-yloxy)benzamide;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(oxan-2-yloxycarbamoyl)phenyl]benzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
• PubChem CID: 158309361
• Molecular Formula: C129H132BBrN26O20
• Molecular Weight: 2457.35 g/mol
• Exact Mass: 2454.94
• IUPAC Name: 4-amino-N-(oxan-2-yloxy)benzamide;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(oxan-2-yloxycarbamoyl)phenyl]benzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
• SMILES: Brc1cn2ccnc2c(Nc2ccc(N3CCOCC3)cc2)n1.CC1(C)OB(c2cccc(C(=O)O)c2)OC1(C)C.Nc1ccc(C(=O)NOC2CCCCO2)cc1.O=C(NO)c1ccc(NC(=O)c2cccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)c2)cc1.O=C(NOC1CCCCO1)c1ccc(NC(=O)c2cccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)c2)cc1.O=C(O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1
• InChI: InChI=1S/C35H35N7O5.C30H27N7O4.C23H21N5O3.C16H16BrN5O.C13H17BO4.C12H16N2O3/c43-34(38-28-9-7-24(8-10-28)35(44)40-47-31-6-1-2-19-46-31)26-5-3-4-25(22-26)30-23-42-16-15-36-33(42)32(39-30)37-27-11-13-29(14-12-27)41-17-20-45-21-18-41;38-29(33-24-6-4-20(5-7-24)30(39)35-40)22-3-1-2-21(18-22)26-19-37-13-12-31-28(37)27(34-26)32-23-8-10-25(11-9-23)36-14-16-41-17-15-36;29-23(30)17-3-1-2-16(14-17)20-15-28-9-8-24-22(28)21(26-20)25-18-4-6-19(7-5-18)27-10-12-31-13-11-27;17-14-11-22-6-5-18-16(22)15(20-14)19-12-1-3-13(4-2-12)21-7-9-23-10-8-21;1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16;13-10-6-4-9(5-7-10)12(15)14-17-11-3-1-2-8-16-11/h3-5,7-16,22-23,31H,1-2,6,17-21H2,(H,37,39)(H,38,43)(H,40,44);1-13,18-19,40H,14-17H2,(H,32,34)(H,33,38)(H,35,39);1-9,14-15H,10-13H2,(H,25,26)(H,29,30);1-6,11H,7-10H2,(H,19,20);5-8H,1-4H3,(H,15,16);4-7,11H,1-3,8,13H2,(H,14,15)
• InChIKey: GNMHDHDKDPBAGZ-UHFFFAOYSA-N
• XLogP: 19.65
• TPSA: 540.49 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 39
• Rotatable Bonds: 29
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2457.35
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-amino-N-(oxan-2-yloxy)benzamide;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(oxan-2-yloxycarbamoyl)phenyl]benzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid?

The IUPAC name of 4-amino-N-(oxan-2-yloxy)benzamide;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(oxan-2-yloxycarbamoyl)phenyl]benzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (CID 158309361) is 4-amino-N-(oxan-2-yloxy)benzamide;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(oxan-2-yloxycarbamoyl)phenyl]benzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid.

What is the SMILES notation for 4-amino-N-(oxan-2-yloxy)benzamide;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(oxan-2-yloxycarbamoyl)phenyl]benzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid?

The canonical SMILES for 4-amino-N-(oxan-2-yloxy)benzamide;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(oxan-2-yloxycarbamoyl)phenyl]benzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid is Brc1cn2ccnc2c(Nc2ccc(N3CCOCC3)cc2)n1.CC1(C)OB(c2cccc(C(=O)O)c2)OC1(C)C.Nc1ccc(C(=O)NOC2CCCCO2)cc1.O=C(NO)c1ccc(NC(=O)c2cccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)c2)cc1.O=C(NOC1CCCCO1)c1ccc(NC(=O)c2cccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)c2)cc1.O=C(O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.

What is the InChIKey of 4-amino-N-(oxan-2-yloxy)benzamide;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(oxan-2-yloxycarbamoyl)phenyl]benzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid?

The InChIKey is GNMHDHDKDPBAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O5.C30H27N7O4.C23H21N5O3.C16H16BrN5O.C13H17BO4.C12H16N2O3/c43-34(38-28-9-7-24(8-10-28)35(44)40-47-31-6-1-2-19-46-31)26-5-3-4-25(22-26)30-23-42-16-15-36-33(42)32(39-30)37-27-11-13-29(14-12-27)41-17-20-45-21-18-41;38-29(33-24-6-4-20(5-7-24)30(39)35-40)22-3-1-2-21(18-22)26-19-37-13-12-31-28(37)27(34-26)32-23-8-10-25(11-9-23)36-14-16-41-17-15-36;29-23(30)17-3-1-2-16(14-17)20-15-28-9-8-24-22(28)21(26-20)25-18-4-6-19(7-5-18)27-10-12-31-13-11-27;17-14-11-22-6-5-18-16(22)15(20-14)19-12-1-3-13(4-2-12)21-7-9-23-10-8-21;1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16;13-10-6-4-9(5-7-10)12(15)14-17-11-3-1-2-8-16-11/h3-5,7-16,22-23,31H,1-2,6,17-21H2,(H,37,39)(H,38,43)(H,40,44);1-13,18-19,40H,14-17H2,(H,32,34)(H,33,38)(H,35,39);1-9,14-15H,10-13H2,(H,25,26)(H,29,30);1-6,11H,7-10H2,(H,19,20);5-8H,1-4H3,(H,15,16);4-7,11H,1-3,8,13H2,(H,14,15).

What are the key properties of 4-amino-N-(oxan-2-yloxy)benzamide;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(oxan-2-yloxycarbamoyl)phenyl]benzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid?

4-amino-N-(oxan-2-yloxy)benzamide;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(oxan-2-yloxycarbamoyl)phenyl]benzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid has a molecular weight of 2457.35 g/mol, XLogP of 19.65, 29 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-(oxan-2-yloxy)benzamide;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-(hydroxycarbamoyl)phenyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(oxan-2-yloxycarbamoyl)phenyl]benzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid is sourced from PubChem (CID 158309361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).