N-[4-amino-1-(3,5-difluorophenyl)-3,4-dioxobutan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(3-amino-1-naphthalen-2-yl-2,3-dioxopropyl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide

C113H88F10N22O17S — CID 158252149

About N-[4-amino-1-(3,5-difluorophenyl)-3,4-dioxobutan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(3-amino-1-naphthalen-2-yl-2,3-dioxopropyl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide

N-[4-amino-1-(3,5-difluorophenyl)-3,4-dioxobutan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(3-amino-1-naphthalen-2-yl-2,3-dioxopropyl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 158252149) has the molecular formula C113H88F10N22O17S and a molecular weight of 2248.13 g/mol. Its IUPAC name is N-[4-amino-1-(3,5-difluorophenyl)-3,4-dioxobutan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(3-amino-1-naphthalen-2-yl-2,3-dioxopropyl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-amino-1-(3,5-difluorophenyl)-3,4-dioxobutan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(3-amino-1-naphthalen-2-yl-2,3-dioxopropyl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide
• PubChem CID: 158252149
• Molecular Formula: C113H88F10N22O17S
• Molecular Weight: 2248.13 g/mol
• Exact Mass: 2246.63
• IUPAC Name: N-[4-amino-1-(3,5-difluorophenyl)-3,4-dioxobutan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(3-amino-1-naphthalen-2-yl-2,3-dioxopropyl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide
• SMILES: Cn1cc(C(=O)NC(C(=O)C(N)=O)c2ccc3ccccc3c2)c(-c2ccccc2F)n1.Cn1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(=O)C(N)=O)c(-c2ccccc2F)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccc2cnccc2c1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cccc2ncccc12.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc2c1OC(F)(F)O2
• InChI: InChI=1S/2C24H19F2N5O3.C24H19FN4O3.C21H17F3N4O3.C20H14F2N4O5S/c25-24(26)31-13-17(20(30-31)16-8-4-10-18-15(16)9-5-11-28-18)23(34)29-19(21(32)22(27)33)12-14-6-2-1-3-7-14;25-24(26)31-13-18(20(30-31)16-6-7-17-12-28-9-8-15(17)11-16)23(34)29-19(21(32)22(27)33)10-14-4-2-1-3-5-14;1-29-13-18(21(28-29)17-8-4-5-9-19(17)25)24(32)27-20(22(30)23(26)31)16-11-10-14-6-2-3-7-15(14)12-16;1-28-10-15(18(27-28)14-4-2-3-5-16(14)24)21(31)26-17(19(29)20(25)30)8-11-6-12(22)9-13(23)7-11;21-20(22)30-13-8-4-7-11(17(13)31-20)14-15(26-32-25-14)19(29)24-12(16(27)18(23)28)9-10-5-2-1-3-6-10/h1-11,13,19,24H,12H2,(H2,27,33)(H,29,34);1-9,11-13,19,24H,10H2,(H2,27,33)(H,29,34);2-13,20H,1H3,(H2,26,31)(H,27,32);2-7,9-10,17H,8H2,1H3,(H2,25,30)(H,26,31);1-8,12H,9H2,(H2,23,28)(H,24,29)
• InChIKey: GGVRAQSEKUVBKZ-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 587.60 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 36
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2248.13
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	10
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-1-(3,5-difluorophenyl)-3,4-dioxobutan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(3-amino-1-naphthalen-2-yl-2,3-dioxopropyl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide?

The IUPAC name of N-[4-amino-1-(3,5-difluorophenyl)-3,4-dioxobutan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(3-amino-1-naphthalen-2-yl-2,3-dioxopropyl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide (CID 158252149) is N-[4-amino-1-(3,5-difluorophenyl)-3,4-dioxobutan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(3-amino-1-naphthalen-2-yl-2,3-dioxopropyl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide.

What is the SMILES notation for N-[4-amino-1-(3,5-difluorophenyl)-3,4-dioxobutan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(3-amino-1-naphthalen-2-yl-2,3-dioxopropyl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide?

The canonical SMILES for N-[4-amino-1-(3,5-difluorophenyl)-3,4-dioxobutan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(3-amino-1-naphthalen-2-yl-2,3-dioxopropyl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC(C(=O)C(N)=O)c2ccc3ccccc3c2)c(-c2ccccc2F)n1.Cn1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(=O)C(N)=O)c(-c2ccccc2F)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccc2cnccc2c1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cccc2ncccc12.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc2c1OC(F)(F)O2.

What is the InChIKey of N-[4-amino-1-(3,5-difluorophenyl)-3,4-dioxobutan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(3-amino-1-naphthalen-2-yl-2,3-dioxopropyl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide?

The InChIKey is GGVRAQSEKUVBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19F2N5O3.C24H19FN4O3.C21H17F3N4O3.C20H14F2N4O5S/c25-24(26)31-13-17(20(30-31)16-8-4-10-18-15(16)9-5-11-28-18)23(34)29-19(21(32)22(27)33)12-14-6-2-1-3-7-14;25-24(26)31-13-18(20(30-31)16-6-7-17-12-28-9-8-15(17)11-16)23(34)29-19(21(32)22(27)33)10-14-4-2-1-3-5-14;1-29-13-18(21(28-29)17-8-4-5-9-19(17)25)24(32)27-20(22(30)23(26)31)16-11-10-14-6-2-3-7-15(14)12-16;1-28-10-15(18(27-28)14-4-2-3-5-16(14)24)21(31)26-17(19(29)20(25)30)8-11-6-12(22)9-13(23)7-11;21-20(22)30-13-8-4-7-11(17(13)31-20)14-15(26-32-25-14)19(29)24-12(16(27)18(23)28)9-10-5-2-1-3-6-10/h1-11,13,19,24H,12H2,(H2,27,33)(H,29,34);1-9,11-13,19,24H,10H2,(H2,27,33)(H,29,34);2-13,20H,1H3,(H2,26,31)(H,27,32);2-7,9-10,17H,8H2,1H3,(H2,25,30)(H,26,31);1-8,12H,9H2,(H2,23,28)(H,24,29).

What are the key properties of N-[4-amino-1-(3,5-difluorophenyl)-3,4-dioxobutan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(3-amino-1-naphthalen-2-yl-2,3-dioxopropyl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide?

N-[4-amino-1-(3,5-difluorophenyl)-3,4-dioxobutan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(3-amino-1-naphthalen-2-yl-2,3-dioxopropyl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 2248.13 g/mol, XLogP of 12.50, 36 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-1-(3,5-difluorophenyl)-3,4-dioxobutan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(3-amino-1-naphthalen-2-yl-2,3-dioxopropyl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 158252149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).