N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-quinolin-2-yl-1,2-thiazole-4-carboxamide

C138H121N25O20S4 — CID 157143337

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-quinolin-2-yl-1,2-thiazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-quinolin-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 157143337) has the molecular formula C138H121N25O20S4 and a molecular weight of 2577.91 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-quinolin-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-quinolin-2-yl-1,2-thiazole-4-carboxamide
• PubChem CID: 157143337
• Molecular Formula: C138H121N25O20S4
• Molecular Weight: 2577.91 g/mol
• Exact Mass: 2575.81
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-quinolin-2-yl-1,2-thiazole-4-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(S(C)(=O)=O)cc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc3ccccc3n2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(-c3ccccc3)c2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nc3ccccc3s2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1csnc1-c1ccc2ccccc2n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1scnc1-c1ccccc1
• InChI: InChI=1S/C27H24N4O3.C24H21N5O3.C23H18N4O3S.C22H19N5O3S.C22H22N4O5S.C20H17N3O3S/c1-18-15-24(27(34)29-23(25(32)26(28)33)16-19-9-4-2-5-10-19)31(30-18)22-14-8-13-21(17-22)20-11-6-3-7-12-20;1-15-13-20(29(28-15)21-12-11-17-9-5-6-10-18(17)26-21)24(32)27-19(22(30)23(25)31)14-16-7-3-2-4-8-16;24-22(29)21(28)19(12-14-6-2-1-3-7-14)26-23(30)16-13-31-27-20(16)18-11-10-15-8-4-5-9-17(15)25-18;1-13-11-17(27(26-13)22-25-15-9-5-6-10-18(15)31-22)21(30)24-16(19(28)20(23)29)12-14-7-3-2-4-8-14;1-14-12-19(26(25-14)16-8-10-17(11-9-16)32(2,30)31)22(29)24-18(20(27)21(23)28)13-15-6-4-3-5-7-15;21-19(25)17(24)15(11-13-7-3-1-4-8-13)23-20(26)18-16(22-12-27-18)14-9-5-2-6-10-14/h2-15,17,23H,16H2,1H3,(H2,28,33)(H,29,34);2-13,19H,14H2,1H3,(H2,25,31)(H,27,32);1-11,13,19H,12H2,(H2,24,29)(H,26,30);2-11,16H,12H2,1H3,(H2,23,29)(H,24,30);3-12,18H,13H2,1-2H3,(H2,23,28)(H,24,29);1-10,12,15H,11H2,(H2,21,25)(H,23,26)
• InChIKey: AKKUHEALEIKAKJ-UHFFFAOYSA-N
• XLogP: 13.49
• TPSA: 705.43 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 44
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2577.91
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-quinolin-2-yl-1,2-thiazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-quinolin-2-yl-1,2-thiazole-4-carboxamide (CID 157143337) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-quinolin-2-yl-1,2-thiazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-quinolin-2-yl-1,2-thiazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-quinolin-2-yl-1,2-thiazole-4-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(S(C)(=O)=O)cc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc3ccccc3n2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(-c3ccccc3)c2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nc3ccccc3s2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1csnc1-c1ccc2ccccc2n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1scnc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-quinolin-2-yl-1,2-thiazole-4-carboxamide?

The InChIKey is AKKUHEALEIKAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3.C24H21N5O3.C23H18N4O3S.C22H19N5O3S.C22H22N4O5S.C20H17N3O3S/c1-18-15-24(27(34)29-23(25(32)26(28)33)16-19-9-4-2-5-10-19)31(30-18)22-14-8-13-21(17-22)20-11-6-3-7-12-20;1-15-13-20(29(28-15)21-12-11-17-9-5-6-10-18(17)26-21)24(32)27-19(22(30)23(25)31)14-16-7-3-2-4-8-16;24-22(29)21(28)19(12-14-6-2-1-3-7-14)26-23(30)16-13-31-27-20(16)18-11-10-15-8-4-5-9-17(15)25-18;1-13-11-17(27(26-13)22-25-15-9-5-6-10-18(15)31-22)21(30)24-16(19(28)20(23)29)12-14-7-3-2-4-8-14;1-14-12-19(26(25-14)16-8-10-17(11-9-16)32(2,30)31)22(29)24-18(20(27)21(23)28)13-15-6-4-3-5-7-15;21-19(25)17(24)15(11-13-7-3-1-4-8-13)23-20(26)18-16(22-12-27-18)14-9-5-2-6-10-14/h2-15,17,23H,16H2,1H3,(H2,28,33)(H,29,34);2-13,19H,14H2,1H3,(H2,25,31)(H,27,32);1-11,13,19H,12H2,(H2,24,29)(H,26,30);2-11,16H,12H2,1H3,(H2,23,29)(H,24,30);3-12,18H,13H2,1-2H3,(H2,23,28)(H,24,29);1-10,12,15H,11H2,(H2,21,25)(H,23,26).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-quinolin-2-yl-1,2-thiazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-quinolin-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 2577.91 g/mol, XLogP of 13.49, 44 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-quinolin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-quinolin-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 157143337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).