benzyl 4-aminobenzoate;benzyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate;benzyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate;6-bromo-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride

C131H122B2BrClN16O22 — CID 159007920

About benzyl 4-aminobenzoate;benzyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate;benzyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate;6-bromo-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride

benzyl 4-aminobenzoate;benzyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate;benzyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate;6-bromo-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride (PubChem CID 159007920) has the molecular formula C131H122B2BrClN16O22 and a molecular weight of 2409.49 g/mol. Its IUPAC name is benzyl 4-aminobenzoate;benzyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate;benzyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate;6-bromo-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride.

Molecular Properties

• Compound Name: benzyl 4-aminobenzoate;benzyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate;benzyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate;6-bromo-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride
• PubChem CID: 159007920
• Molecular Formula: C131H122B2BrClN16O22
• Molecular Weight: 2409.49 g/mol
• Exact Mass: 2406.80
• IUPAC Name: benzyl 4-aminobenzoate;benzyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate;benzyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate;6-bromo-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride
• SMILES: CC1(C)OB(c2cccc(C(=O)Cl)c2)OC1(C)C.CC1(C)OB(c2cccc(C(=O)Nc3ccc(C(=O)OCc4ccccc4)cc3)c2)OC1(C)C.COc1ccc(Nc2nc(-c3cccc(C(=O)Nc4ccc(C(=O)O)cc4)c3)cn3ccnc23)cc1OC.COc1ccc(Nc2nc(-c3cccc(C(=O)Nc4ccc(C(=O)OCc5ccccc5)cc4)c3)cn3ccnc23)cc1OC.COc1ccc(Nc2nc(Br)cn3ccnc23)cc1OC.Nc1ccc(C(=O)OCc2ccccc2)cc1
• InChI: InChI=1S/C35H29N5O5.C28H23N5O5.C27H28BNO5.C14H13BrN4O2.C14H13NO2.C13H16BClO3/c1-43-30-16-15-28(20-31(30)44-2)37-32-33-36-17-18-40(33)21-29(39-32)25-9-6-10-26(19-25)34(41)38-27-13-11-24(12-14-27)35(42)45-22-23-7-4-3-5-8-23;1-37-23-11-10-21(15-24(23)38-2)30-25-26-29-12-13-33(26)16-22(32-25)18-4-3-5-19(14-18)27(34)31-20-8-6-17(7-9-20)28(35)36;1-26(2)27(3,4)34-28(33-26)22-12-8-11-21(17-22)24(30)29-23-15-13-20(14-16-23)25(31)32-18-19-9-6-5-7-10-19;1-20-10-4-3-9(7-11(10)21-2)17-13-14-16-5-6-19(14)8-12(15)18-13;15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11;1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h3-21H,22H2,1-2H3,(H,37,39)(H,38,41);3-16H,1-2H3,(H,30,32)(H,31,34)(H,35,36);5-17H,18H2,1-4H3,(H,29,30);3-8H,1-2H3,(H,17,18);1-9H,10,15H2;5-8H,1-4H3
• InChIKey: JSDNOPYBGQNIOI-UHFFFAOYSA-N
• XLogP: 24.71
• TPSA: 465.55 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 33
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2409.49
LogP ≤ 5	24.71
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 4-aminobenzoate;benzyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate;benzyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate;6-bromo-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride?

The IUPAC name of benzyl 4-aminobenzoate;benzyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate;benzyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate;6-bromo-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride (CID 159007920) is benzyl 4-aminobenzoate;benzyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate;benzyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate;6-bromo-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride.

What is the SMILES notation for benzyl 4-aminobenzoate;benzyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate;benzyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate;6-bromo-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride?

The canonical SMILES for benzyl 4-aminobenzoate;benzyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate;benzyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate;6-bromo-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride is CC1(C)OB(c2cccc(C(=O)Cl)c2)OC1(C)C.CC1(C)OB(c2cccc(C(=O)Nc3ccc(C(=O)OCc4ccccc4)cc3)c2)OC1(C)C.COc1ccc(Nc2nc(-c3cccc(C(=O)Nc4ccc(C(=O)O)cc4)c3)cn3ccnc23)cc1OC.COc1ccc(Nc2nc(-c3cccc(C(=O)Nc4ccc(C(=O)OCc5ccccc5)cc4)c3)cn3ccnc23)cc1OC.COc1ccc(Nc2nc(Br)cn3ccnc23)cc1OC.Nc1ccc(C(=O)OCc2ccccc2)cc1.

What is the InChIKey of benzyl 4-aminobenzoate;benzyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate;benzyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate;6-bromo-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride?

The InChIKey is JSDNOPYBGQNIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N5O5.C28H23N5O5.C27H28BNO5.C14H13BrN4O2.C14H13NO2.C13H16BClO3/c1-43-30-16-15-28(20-31(30)44-2)37-32-33-36-17-18-40(33)21-29(39-32)25-9-6-10-26(19-25)34(41)38-27-13-11-24(12-14-27)35(42)45-22-23-7-4-3-5-8-23;1-37-23-11-10-21(15-24(23)38-2)30-25-26-29-12-13-33(26)16-22(32-25)18-4-3-5-19(14-18)27(34)31-20-8-6-17(7-9-20)28(35)36;1-26(2)27(3,4)34-28(33-26)22-12-8-11-21(17-22)24(30)29-23-15-13-20(14-16-23)25(31)32-18-19-9-6-5-7-10-19;1-20-10-4-3-9(7-11(10)21-2)17-13-14-16-5-6-19(14)8-12(15)18-13;15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11;1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h3-21H,22H2,1-2H3,(H,37,39)(H,38,41);3-16H,1-2H3,(H,30,32)(H,31,34)(H,35,36);5-17H,18H2,1-4H3,(H,29,30);3-8H,1-2H3,(H,17,18);1-9H,10,15H2;5-8H,1-4H3.

What are the key properties of benzyl 4-aminobenzoate;benzyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate;benzyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate;6-bromo-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride?

benzyl 4-aminobenzoate;benzyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate;benzyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate;6-bromo-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride has a molecular weight of 2409.49 g/mol, XLogP of 24.71, 33 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-aminobenzoate;benzyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate;benzyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate;6-bromo-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride is sourced from PubChem (CID 159007920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).