N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide

C110H88F8N20O20S — CID 165034213

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 165034213) has the molecular formula C110H88F8N20O20S and a molecular weight of 2194.08 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide
• PubChem CID: 165034213
• Molecular Formula: C110H88F8N20O20S
• Molecular Weight: 2194.08 g/mol
• Exact Mass: 2192.61
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide
• SMILES: Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc3c(c2)OC(F)(F)O3)n1.NC(=O)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1nsnc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cccc2c1OC(F)(F)O2.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cccc2ccccc12.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cnoc1-c1ccccc1
• InChI: InChI=1S/C25H20F2N4O3.C22H16F4N4O5.C22H18F2N4O5.C21H17N5O3S.C20H17N3O4/c26-25(27)31-14-19(21(30-31)18-12-6-10-16-9-4-5-11-17(16)18)24(34)29-20(22(32)23(28)33)13-15-7-2-1-3-8-15;23-21(24)30-10-13(16(29-30)12-7-4-8-15-18(12)35-22(25,26)34-15)20(33)28-14(17(31)19(27)32)9-11-5-2-1-3-6-11;1-28-11-14(18(27-28)13-7-8-16-17(10-13)33-22(23,24)32-16)21(31)26-15(19(29)20(25)30)9-12-5-3-2-4-6-12;22-20(28)19(27)16(10-13-11-23-15-9-5-4-8-14(13)15)24-21(29)18-17(25-30-26-18)12-6-2-1-3-7-12;21-19(25)17(24)16(11-13-7-3-1-4-8-13)23-20(26)15-12-22-27-18(15)14-9-5-2-6-10-14/h1-12,14,20,25H,13H2,(H2,28,33)(H,29,34);1-8,10,14,21H,9H2,(H2,27,32)(H,28,33);2-8,10-11,15H,9H2,1H3,(H2,25,30)(H,26,31);1-9,11,16,23H,10H2,(H2,22,28)(H,24,29);1-10,12,16H,11H2,(H2,21,25)(H,23,26)
• InChIKey: NDBSPLJOUSQJHS-UHFFFAOYSA-N
• XLogP: 11.78
• TPSA: 604.28 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 37
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2194.08
LogP ≤ 5	11.78
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

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)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide (CID 165034213) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide is Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc3c(c2)OC(F)(F)O3)n1.NC(=O)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1nsnc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cccc2c1OC(F)(F)O2.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cccc2ccccc12.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cnoc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The InChIKey is NDBSPLJOUSQJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O3.C22H16F4N4O5.C22H18F2N4O5.C21H17N5O3S.C20H17N3O4/c26-25(27)31-14-19(21(30-31)18-12-6-10-16-9-4-5-11-17(16)18)24(34)29-20(22(32)23(28)33)13-15-7-2-1-3-8-15;23-21(24)30-10-13(16(29-30)12-7-4-8-15-18(12)35-22(25,26)34-15)20(33)28-14(17(31)19(27)32)9-11-5-2-1-3-6-11;1-28-11-14(18(27-28)13-7-8-16-17(10-13)33-22(23,24)32-16)21(31)26-15(19(29)20(25)30)9-12-5-3-2-4-6-12;22-20(28)19(27)16(10-13-11-23-15-9-5-4-8-14(13)15)24-21(29)18-17(25-30-26-18)12-6-2-1-3-7-12;21-19(25)17(24)16(11-13-7-3-1-4-8-13)23-20(26)15-12-22-27-18(15)14-9-5-2-6-10-14/h1-12,14,20,25H,13H2,(H2,28,33)(H,29,34);1-8,10,14,21H,9H2,(H2,27,32)(H,28,33);2-8,10-11,15H,9H2,1H3,(H2,25,30)(H,26,31);1-9,11,16,23H,10H2,(H2,22,28)(H,24,29);1-10,12,16H,11H2,(H2,21,25)(H,23,26).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 2194.08 g/mol, XLogP of 11.78, 37 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 165034213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).