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

C120H105FN16O17 — CID 158890453

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-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-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-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide (PubChem CID 158890453) has the molecular formula C120H105FN16O17 and a molecular weight of 2062.25 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-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-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-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide
• PubChem CID: 158890453
• Molecular Formula: C120H105FN16O17
• Molecular Weight: 2062.25 g/mol
• Exact Mass: 2060.78
• 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-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide
• SMILES: Cc1nc(-c2ccc(F)cc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccc2oc(-c3ccccc3)cc12.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/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)23(28)20(14-16-8-3-1-4-9-16)27-25(30)18-12-7-13-21-19(18)15-22(31-21)17-10-5-2-6-11-17;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(14-7-9-15(22)10-8-14)19(29-12)21(28)25-16(18(26)20(23)27)11-13-5-3-2-4-6-13/h1-14,18,23H,17H2,(H2,28,32)(H,29,33);1-13,15,20H,14H2,(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);2-10,16H,11H2,1H3,(H2,23,27)(H,25,28)
• InChIKey: JEDYJCXSYKQSHA-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 526.04 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 37
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2062.25
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

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-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-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-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide (CID 158890453) 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-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-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-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-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-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide is Cc1nc(-c2ccc(F)cc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccc2oc(-c3ccccc3)cc12.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-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide?

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

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-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-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-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide has a molecular weight of 2062.25 g/mol, XLogP of 13.21, 37 rotatable bonds, 10 hydrogen bond donors, and 23 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-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenyl-1-benzofuran-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-phenylethynyl)indole-3-carboxamide is sourced from PubChem (CID 158890453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).