N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(5-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-methylphenyl)-1,2-oxazole-4-carboxamide

C127H107F5N20O23 — CID 161082786

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(5-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-methylphenyl)-1,2-oxazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(5-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-methylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 161082786) has the molecular formula C127H107F5N20O23 and a molecular weight of 2376.36 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(5-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-methylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(5-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-methylphenyl)-1,2-oxazole-4-carboxamide
• PubChem CID: 161082786
• Molecular Formula: C127H107F5N20O23
• Molecular Weight: 2376.36 g/mol
• Exact Mass: 2374.77
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(5-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-methylphenyl)-1,2-oxazole-4-carboxamide
• SMILES: Cc1ccc(F)cc1-c1oncc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cc1cccc(-c2oncc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1ccccc1-c1oncc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cncc2ccccc12.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cnoc1-c1cccc(F)c1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cnoc1-c1ccccc1F
• InChI: InChI=1S/C24H19F2N5O3.C21H18FN3O4.2C21H19N3O4.2C20H16FN3O4/c25-24(26)31-13-18(20(30-31)17-12-28-11-15-8-4-5-9-16(15)17)23(34)29-19(21(32)22(27)33)10-14-6-2-1-3-7-14;1-12-7-8-14(22)10-15(12)19-16(11-24-29-19)21(28)25-17(18(26)20(23)27)9-13-5-3-2-4-6-13;1-13-7-5-6-10-15(13)19-16(12-23-28-19)21(27)24-17(18(25)20(22)26)11-14-8-3-2-4-9-14;1-13-6-5-9-15(10-13)19-16(12-23-28-19)21(27)24-17(18(25)20(22)26)11-14-7-3-2-4-8-14;21-15-9-5-4-8-13(15)18-14(11-23-28-18)20(27)24-16(17(25)19(22)26)10-12-6-2-1-3-7-12;21-14-8-4-7-13(10-14)18-15(11-23-28-18)20(27)24-16(17(25)19(22)26)9-12-5-2-1-3-6-12/h1-9,11-13,19,24H,10H2,(H2,27,33)(H,29,34);2-8,10-11,17H,9H2,1H3,(H2,23,27)(H,25,28);2*2-10,12,17H,11H2,1H3,(H2,22,26)(H,24,27);1-9,11,16H,10H2,(H2,22,26)(H,24,27);1-8,10-11,16H,9H2,(H2,22,26)(H,24,27)
• InChIKey: UGCYMCCSGQLRMF-UHFFFAOYSA-N
• XLogP: 12.92
• TPSA: 696.42 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 43
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2376.36
LogP ≤ 5	12.92
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

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-isoquinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(5-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-methylphenyl)-1,2-oxazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(5-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-methylphenyl)-1,2-oxazole-4-carboxamide (CID 161082786) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(5-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-methylphenyl)-1,2-oxazole-4-carboxamide.

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

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(5-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-methylphenyl)-1,2-oxazole-4-carboxamide is Cc1ccc(F)cc1-c1oncc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cc1cccc(-c2oncc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1ccccc1-c1oncc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cncc2ccccc12.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cnoc1-c1cccc(F)c1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cnoc1-c1ccccc1F.

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

The InChIKey is UGCYMCCSGQLRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O3.C21H18FN3O4.2C21H19N3O4.2C20H16FN3O4/c25-24(26)31-13-18(20(30-31)17-12-28-11-15-8-4-5-9-16(15)17)23(34)29-19(21(32)22(27)33)10-14-6-2-1-3-7-14;1-12-7-8-14(22)10-15(12)19-16(11-24-29-19)21(28)25-17(18(26)20(23)27)9-13-5-3-2-4-6-13;1-13-7-5-6-10-15(13)19-16(12-23-28-19)21(27)24-17(18(25)20(22)26)11-14-8-3-2-4-9-14;1-13-6-5-9-15(10-13)19-16(12-23-28-19)21(27)24-17(18(25)20(22)26)11-14-7-3-2-4-8-14;21-15-9-5-4-8-13(15)18-14(11-23-28-18)20(27)24-16(17(25)19(22)26)10-12-6-2-1-3-7-12;21-14-8-4-7-13(10-14)18-15(11-23-28-18)20(27)24-16(17(25)19(22)26)9-12-5-2-1-3-6-12/h1-9,11-13,19,24H,10H2,(H2,27,33)(H,29,34);2-8,10-11,17H,9H2,1H3,(H2,23,27)(H,25,28);2*2-10,12,17H,11H2,1H3,(H2,22,26)(H,24,27);1-9,11,16H,10H2,(H2,22,26)(H,24,27);1-8,10-11,16H,9H2,(H2,22,26)(H,24,27).

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

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(5-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-methylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 2376.36 g/mol, XLogP of 12.92, 43 rotatable bonds, 12 hydrogen bond donors, and 31 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-isoquinolin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(5-fluoro-2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-methylphenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(3-methylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 161082786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).