N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-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-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide

C141H125ClF4N22O22 — CID 161241557

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-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-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-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-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 161241557) has the molecular formula C141H125ClF4N22O22 and a molecular weight of 2591.13 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-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-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-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-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
• PubChem CID: 161241557
• Molecular Formula: C141H125ClF4N22O22
• Molecular Weight: 2591.13 g/mol
• Exact Mass: 2588.90
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-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-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccnc(Cl)n2)n1.Cc1nc(-c2ccc(F)cc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1noc(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccc(OC(F)(F)F)cc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(-c2ccccc2)oc2ccccc12.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/C29H24F3N3O5.C25H20N2O4.C24H24N4O3.C23H22N4O3.C21H18FN3O4.C19H17ClN6O3/c1-18-24(26(40-35-18)21-10-6-3-7-11-21)27(37)34-23(16-19-8-4-2-5-9-19)25(36)28(38)33-17-20-12-14-22(15-13-20)39-29(30,31)32;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(14-7-9-15(22)10-8-14)19(29-12)21(28)25-16(18(26)20(23)27)11-13-5-3-2-4-6-13;1-11-9-14(26(25-11)15-7-8-22-19(20)24-15)18(29)23-13(16(27)17(21)28)10-12-5-3-2-4-6-12/h2-15,23H,16-17H2,1H3,(H,33,38)(H,34,37);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);2-10,16H,11H2,1H3,(H2,23,27)(H,25,28);2-9,13H,10H2,1H3,(H2,21,28)(H,23,29)
• InChIKey: VABOHWLZXCJLTQ-UHFFFAOYSA-N
• XLogP: 16.11
• TPSA: 675.24 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 48
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2591.13
LogP ≤ 5	16.11
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

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-(2-chloropyrimidin-4-yl)-5-methylpyrazole-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-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-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-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide (CID 161241557) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-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-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-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-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-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-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccnc(Cl)n2)n1.Cc1nc(-c2ccc(F)cc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1noc(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccc(OC(F)(F)F)cc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(-c2ccccc2)oc2ccccc12.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)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-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-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?

The InChIKey is VABOHWLZXCJLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N3O5.C25H20N2O4.C24H24N4O3.C23H22N4O3.C21H18FN3O4.C19H17ClN6O3/c1-18-24(26(40-35-18)21-10-6-3-7-11-21)27(37)34-23(16-19-8-4-2-5-9-19)25(36)28(38)33-17-20-12-14-22(15-13-20)39-29(30,31)32;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(14-7-9-15(22)10-8-14)19(29-12)21(28)25-16(18(26)20(23)27)11-13-5-3-2-4-6-13;1-11-9-14(26(25-11)15-7-8-22-19(20)24-15)18(29)23-13(16(27)17(21)28)10-12-5-3-2-4-6-12/h2-15,23H,16-17H2,1H3,(H,33,38)(H,34,37);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);2-10,16H,11H2,1H3,(H2,23,27)(H,25,28);2-9,13H,10H2,1H3,(H2,21,28)(H,23,29).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-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-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-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-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 2591.13 g/mol, XLogP of 16.11, 48 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-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-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 161241557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).