N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-6-ylpyrazole-4-carboxamide

C114H97F4N21O18 — CID 159592407

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-6-ylpyrazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-6-ylpyrazole-4-carboxamide (PubChem CID 159592407) has the molecular formula C114H97F4N21O18 and a molecular weight of 2125.15 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-6-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-6-ylpyrazole-4-carboxamide
• PubChem CID: 159592407
• Molecular Formula: C114H97F4N21O18
• Molecular Weight: 2125.15 g/mol
• Exact Mass: 2123.73
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-6-ylpyrazole-4-carboxamide
• SMILES: COc1cccc(-c2oncc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1F.Cc1c(F)cccc1-c1oncc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc3ncccc3c2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc3ncccc23)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccnc2ccccc12
• InChI: InChI=1S/C24H19F2N5O3.2C24H21N5O3.C21H18FN3O5.C21H18FN3O4/c25-24(26)31-13-17(20(30-31)16-10-11-28-18-9-5-4-8-15(16)18)23(34)29-19(21(32)22(27)33)12-14-6-2-1-3-7-14;1-29-14-18(21(28-29)17-9-5-11-19-16(17)10-6-12-26-19)24(32)27-20(22(30)23(25)31)13-15-7-3-2-4-8-15;1-29-14-18(21(28-29)17-9-10-19-16(13-17)8-5-11-26-19)24(32)27-20(22(30)23(25)31)12-15-6-3-2-4-7-15;1-29-16-9-5-8-13(17(16)22)19-14(11-24-30-19)21(28)25-15(18(26)20(23)27)10-12-6-3-2-4-7-12;1-12-14(8-5-9-16(12)22)19-15(11-24-29-19)21(28)25-17(18(26)20(23)27)10-13-6-3-2-4-7-13/h1-11,13,19,24H,12H2,(H2,27,33)(H,29,34);2-12,14,20H,13H2,1H3,(H2,25,31)(H,27,32);2-11,13-14,20H,12H2,1H3,(H2,25,31)(H,27,32);2-9,11,15H,10H2,1H3,(H2,23,27)(H,25,28);2-9,11,17H,10H2,1H3,(H2,23,27)(H,25,28)
• InChIKey: MKKGXCVPUHHNCE-UHFFFAOYSA-N
• XLogP: 11.02
• TPSA: 599.72 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 37
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2125.15
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

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)-1-(difluoromethyl)-3-quinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-6-ylpyrazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-6-ylpyrazole-4-carboxamide (CID 159592407) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-6-ylpyrazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-6-ylpyrazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-6-ylpyrazole-4-carboxamide is COc1cccc(-c2oncc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1F.Cc1c(F)cccc1-c1oncc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc3ncccc3c2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc3ncccc23)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccnc2ccccc12.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-6-ylpyrazole-4-carboxamide?

The InChIKey is MKKGXCVPUHHNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O3.2C24H21N5O3.C21H18FN3O5.C21H18FN3O4/c25-24(26)31-13-17(20(30-31)16-10-11-28-18-9-5-4-8-15(16)18)23(34)29-19(21(32)22(27)33)12-14-6-2-1-3-7-14;1-29-14-18(21(28-29)17-9-5-11-19-16(17)10-6-12-26-19)24(32)27-20(22(30)23(25)31)13-15-7-3-2-4-8-15;1-29-14-18(21(28-29)17-9-10-19-16(13-17)8-5-11-26-19)24(32)27-20(22(30)23(25)31)12-15-6-3-2-4-7-15;1-29-16-9-5-8-13(17(16)22)19-14(11-24-30-19)21(28)25-15(18(26)20(23)27)10-12-6-3-2-4-7-12;1-12-14(8-5-9-16(12)22)19-15(11-24-29-19)21(28)25-17(18(26)20(23)27)10-13-6-3-2-4-7-13/h1-11,13,19,24H,12H2,(H2,27,33)(H,29,34);2-12,14,20H,13H2,1H3,(H2,25,31)(H,27,32);2-11,13-14,20H,12H2,1H3,(H2,25,31)(H,27,32);2-9,11,15H,10H2,1H3,(H2,23,27)(H,25,28);2-9,11,17H,10H2,1H3,(H2,23,27)(H,25,28).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-6-ylpyrazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-6-ylpyrazole-4-carboxamide has a molecular weight of 2125.15 g/mol, XLogP of 11.02, 37 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-6-ylpyrazole-4-carboxamide is sourced from PubChem (CID 159592407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).