N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide

C138H126FN19O21 — CID 167708443

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 167708443) has the molecular formula C138H126FN19O21 and a molecular weight of 2405.64 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
• PubChem CID: 167708443
• Molecular Formula: C138H126FN19O21
• Molecular Weight: 2405.64 g/mol
• Exact Mass: 2403.94
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
• SMILES: Cc1nc(-c2cccc(F)c2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1nc(-c2ccccc2)c(C(=O)NC(CC(C)C)C(=O)C(N)=O)o1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(-c2ccccc2)oc2ccccc12.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C#Cc2ccccc2)c2ccccc12.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C2CC2)nc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(CC2CC2)nc1-c1ccccc1
• InChI: InChI=1S/C27H21N3O3.C25H20N2O4.C24H24N4O3.C23H22N4O3.C21H18FN3O4.C18H21N3O4/c28-26(32)25(31)23(17-20-11-5-2-6-12-20)29-27(33)22-18-30(24-14-8-7-13-21(22)24)16-15-19-9-3-1-4-10-19;26-24(29)22(28)19(15-16-9-3-1-4-10-16)27-25(30)21-18-13-7-8-14-20(18)31-23(21)17-11-5-2-6-12-17;25-23(30)22(29)20(13-16-7-3-1-4-8-16)26-24(31)19-15-28(14-17-11-12-17)27-21(19)18-9-5-2-6-10-18;24-22(29)21(28)19(13-15-7-3-1-4-8-15)25-23(30)18-14-27(17-11-12-17)26-20(18)16-9-5-2-6-10-16;1-12-24-17(14-8-5-9-15(22)11-14)19(29-12)21(28)25-16(18(26)20(23)27)10-13-6-3-2-4-7-13;1-10(2)9-13(15(22)17(19)23)21-18(24)16-14(20-11(3)25-16)12-7-5-4-6-8-12/h1-14,18,23H,17H2,(H2,28,32)(H,29,33);1-14,19H,15H2,(H2,26,29)(H,27,30);1-10,15,17,20H,11-14H2,(H2,25,30)(H,26,31);1-10,14,17,19H,11-13H2,(H2,24,29)(H,25,30);2-9,11,16H,10H2,1H3,(H2,23,27)(H,25,28);4-8,10,13H,9H2,1-3H3,(H2,19,23)(H,21,24)
• InChIKey: ZLRMBGDDLMDXKK-UHFFFAOYSA-N
• XLogP: 15.06
• TPSA: 641.33 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 44
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2405.64
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide (CID 167708443) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide is Cc1nc(-c2cccc(F)c2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1nc(-c2ccccc2)c(C(=O)NC(CC(C)C)C(=O)C(N)=O)o1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(-c2ccccc2)oc2ccccc12.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C#Cc2ccccc2)c2ccccc12.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C2CC2)nc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(CC2CC2)nc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?

The InChIKey is ZLRMBGDDLMDXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3.C25H20N2O4.C24H24N4O3.C23H22N4O3.C21H18FN3O4.C18H21N3O4/c28-26(32)25(31)23(17-20-11-5-2-6-12-20)29-27(33)22-18-30(24-14-8-7-13-21(22)24)16-15-19-9-3-1-4-10-19;26-24(29)22(28)19(15-16-9-3-1-4-10-16)27-25(30)21-18-13-7-8-14-20(18)31-23(21)17-11-5-2-6-12-17;25-23(30)22(29)20(13-16-7-3-1-4-8-16)26-24(31)19-15-28(14-17-11-12-17)27-21(19)18-9-5-2-6-10-18;24-22(29)21(28)19(13-15-7-3-1-4-8-15)25-23(30)18-14-27(17-11-12-17)26-20(18)16-9-5-2-6-10-16;1-12-24-17(14-8-5-9-15(22)11-14)19(29-12)21(28)25-16(18(26)20(23)27)10-13-6-3-2-4-7-13;1-10(2)9-13(15(22)17(19)23)21-18(24)16-14(20-11(3)25-16)12-7-5-4-6-8-12/h1-14,18,23H,17H2,(H2,28,32)(H,29,33);1-14,19H,15H2,(H2,26,29)(H,27,30);1-10,15,17,20H,11-14H2,(H2,25,30)(H,26,31);1-10,14,17,19H,11-13H2,(H2,24,29)(H,25,30);2-9,11,16H,10H2,1H3,(H2,23,27)(H,25,28);4-8,10,13H,9H2,1-3H3,(H2,19,23)(H,21,24).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 2405.64 g/mol, XLogP of 15.06, 44 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide;N-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 167708443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).