N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide

C133H127ClN28O20S — CID 162079168

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide (PubChem CID 162079168) has the molecular formula C133H127ClN28O20S and a molecular weight of 2505.17 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
• PubChem CID: 162079168
• Molecular Formula: C133H127ClN28O20S
• Molecular Weight: 2505.17 g/mol
• Exact Mass: 2502.92
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
• SMILES: CC1CC(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)N(c2ccccc2)C1.COc1ccc2nc(-n3nc(C(=O)NC(Cc4ccccc4)C(=O)C(N)=O)cc3C)sc2c1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2nc3ccccc3n2C)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nc3ccccc3n2C)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(Cl)ncn1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nonc1-c1ccccc1
• InChI: InChI=1S/C26H26N6O3.C23H22N6O3.C23H21N5O4S.C22H25N3O3.C20H17ClN4O3.C19H16N4O4/c1-16-14-22(32(30-16)26-29-19-10-6-7-11-21(19)31(26)2)24(34)28-20(15-17-8-4-3-5-9-17)23(33)25(35)27-18-12-13-18;1-14-12-19(29(27-14)23-26-16-10-6-7-11-18(16)28(23)2)22(32)25-17(20(30)21(24)31)13-15-8-4-3-5-9-15;1-13-10-18(27-28(13)23-26-16-9-8-15(32-2)12-19(16)33-23)22(31)25-17(20(29)21(24)30)11-14-6-4-3-5-7-14;1-15-12-19(25(14-15)17-10-6-3-7-11-17)22(28)24-18(20(26)21(23)27)13-16-8-4-2-5-9-16;21-18-16(25(12-23-18)14-9-5-2-6-10-14)20(28)24-15(17(26)19(22)27)11-13-7-3-1-4-8-13;20-18(25)17(24)14(11-12-7-3-1-4-8-12)21-19(26)16-15(22-27-23-16)13-9-5-2-6-10-13/h3-11,14,18,20H,12-13,15H2,1-2H3,(H,27,35)(H,28,34);3-12,17H,13H2,1-2H3,(H2,24,31)(H,25,32);3-10,12,17H,11H2,1-2H3,(H2,24,30)(H,25,31);2-11,15,18-19H,12-14H2,1H3,(H2,23,27)(H,24,28);1-10,12,15H,11H2,(H2,22,27)(H,24,28);1-10,14H,11H2,(H2,20,25)(H,21,26)
• InChIKey: ZCCIPKNBZXBGFX-UHFFFAOYSA-N
• XLogP: 10.65
• TPSA: 692.77 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 44
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2505.17
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

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)-5-chloro-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide (CID 162079168) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide is CC1CC(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)N(c2ccccc2)C1.COc1ccc2nc(-n3nc(C(=O)NC(Cc4ccccc4)C(=O)C(N)=O)cc3C)sc2c1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2nc3ccccc3n2C)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nc3ccccc3n2C)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(Cl)ncn1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nonc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide?

The InChIKey is ZCCIPKNBZXBGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3.C23H22N6O3.C23H21N5O4S.C22H25N3O3.C20H17ClN4O3.C19H16N4O4/c1-16-14-22(32(30-16)26-29-19-10-6-7-11-21(19)31(26)2)24(34)28-20(15-17-8-4-3-5-9-17)23(33)25(35)27-18-12-13-18;1-14-12-19(29(27-14)23-26-16-10-6-7-11-18(16)28(23)2)22(32)25-17(20(30)21(24)31)13-15-8-4-3-5-9-15;1-13-10-18(27-28(13)23-26-16-9-8-15(32-2)12-19(16)33-23)22(31)25-17(20(29)21(24)30)11-14-6-4-3-5-7-14;1-15-12-19(25(14-15)17-10-6-3-7-11-17)22(28)24-18(20(26)21(23)27)13-16-8-4-2-5-9-16;21-18-16(25(12-23-18)14-9-5-2-6-10-14)20(28)24-15(17(26)19(22)27)11-13-7-3-1-4-8-13;20-18(25)17(24)14(11-12-7-3-1-4-8-12)21-19(26)16-15(22-27-23-16)13-9-5-2-6-10-13/h3-11,14,18,20H,12-13,15H2,1-2H3,(H,27,35)(H,28,34);3-12,17H,13H2,1-2H3,(H2,24,31)(H,25,32);3-10,12,17H,11H2,1-2H3,(H2,24,30)(H,25,31);2-11,15,18-19H,12-14H2,1H3,(H2,23,27)(H,24,28);1-10,12,15H,11H2,(H2,22,27)(H,24,28);1-10,14H,11H2,(H2,20,25)(H,21,26).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 2505.17 g/mol, XLogP of 10.65, 44 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 162079168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).