N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinoxalin-2-ylpyrazole-4-carboxamide

C₁₄₀H₁₂₂F₄N₃₂O₁₉ — CID 159627451

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinoxalin-2-ylpyrazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinoxalin-2-ylpyrazole-4-carboxamide (PubChem CID 159627451) has the molecular formula C₁₄₀H₁₂₂F₄N₃₂O₁₉ and a molecular weight of 2632.71 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinoxalin-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinoxalin-2-ylpyrazole-4-carboxamide
• PubChem CID: 159627451
• Molecular Formula: C₁₄₀H₁₂₂F₄N₃₂O₁₉
• Molecular Weight: 2632.71 g/mol
• Exact Mass: 2630.95
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinoxalin-2-ylpyrazole-4-carboxamide
• SMILES: CNC(=O)c1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc3[nH]ncc23)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc3cccnc23)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cnc3ccccc3n2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cccc2cccnc12.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cccc2ccncc12
• InChI: InChI=1S/2C24H19F2N5O3.C24H21N5O3.C23H20N6O3.C23H23N5O4.C22H20N6O3/c25-24(26)31-13-17(20(30-31)16-10-4-8-15-9-5-11-28-19(15)16)23(34)29-18(21(32)22(27)33)12-14-6-2-1-3-7-14;25-24(26)31-13-18(20(30-31)16-8-4-7-15-9-10-28-12-17(15)16)23(34)29-19(21(32)22(27)33)11-14-5-2-1-3-6-14;1-29-14-18(21(28-29)17-11-5-9-16-10-6-12-26-20(16)17)24(32)27-19(22(30)23(25)31)13-15-7-3-2-4-8-15;1-29-13-15(20(28-29)19-12-25-16-9-5-6-10-17(16)26-19)23(32)27-18(21(30)22(24)31)11-14-7-3-2-4-8-14;1-25-22(31)16-10-6-9-15(12-16)19-17(13-28(2)27-19)23(32)26-18(20(29)21(24)30)11-14-7-4-3-5-8-14;1-28-12-16(19(27-28)14-8-5-9-17-15(14)11-24-26-17)22(31)25-18(20(29)21(23)30)10-13-6-3-2-4-7-13/h1-11,13,18,24H,12H2,(H2,27,33)(H,29,34);1-10,12-13,19,24H,11H2,(H2,27,33)(H,29,34);2-12,14,19H,13H2,1H3,(H2,25,31)(H,27,32);2-10,12-13,18H,11H2,1H3,(H2,24,31)(H,27,32);3-10,12-13,18H,11H2,1-2H3,(H2,24,30)(H,25,31)(H,26,32);2-9,11-12,18H,10H2,1H3,(H2,23,30)(H,24,26)(H,25,31)
• InChIKey: MORLBVUKSJLIEV-UHFFFAOYSA-N
• XLogP: 11.44
• TPSA: 764.71 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 37
• Rotatable Bonds: 45
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2632.71
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	37

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-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinoxalin-2-ylpyrazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinoxalin-2-ylpyrazole-4-carboxamide (CID 159627451) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinoxalin-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinoxalin-2-ylpyrazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinoxalin-2-ylpyrazole-4-carboxamide is CNC(=O)c1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc3[nH]ncc23)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc3cccnc23)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cnc3ccccc3n2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cccc2cccnc12.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cccc2ccncc12.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinoxalin-2-ylpyrazole-4-carboxamide?

The InChIKey is MORLBVUKSJLIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19F2N5O3.C24H21N5O3.C23H20N6O3.C23H23N5O4.C22H20N6O3/c25-24(26)31-13-17(20(30-31)16-10-4-8-15-9-5-11-28-19(15)16)23(34)29-18(21(32)22(27)33)12-14-6-2-1-3-7-14;25-24(26)31-13-18(20(30-31)16-8-4-7-15-9-10-28-12-17(15)16)23(34)29-19(21(32)22(27)33)11-14-5-2-1-3-6-14;1-29-14-18(21(28-29)17-11-5-9-16-10-6-12-26-20(16)17)24(32)27-19(22(30)23(25)31)13-15-7-3-2-4-8-15;1-29-13-15(20(28-29)19-12-25-16-9-5-6-10-17(16)26-19)23(32)27-18(21(30)22(24)31)11-14-7-3-2-4-8-14;1-25-22(31)16-10-6-9-15(12-16)19-17(13-28(2)27-19)23(32)26-18(20(29)21(24)30)11-14-7-4-3-5-8-14;1-28-12-16(19(27-28)14-8-5-9-17-15(14)11-24-26-17)22(31)25-18(20(29)21(23)30)10-13-6-3-2-4-7-13/h1-11,13,18,24H,12H2,(H2,27,33)(H,29,34);1-10,12-13,19,24H,11H2,(H2,27,33)(H,29,34);2-12,14,19H,13H2,1H3,(H2,25,31)(H,27,32);2-10,12-13,18H,11H2,1H3,(H2,24,31)(H,27,32);3-10,12-13,18H,11H2,1-2H3,(H2,24,30)(H,25,31)(H,26,32);2-9,11-12,18H,10H2,1H3,(H2,23,30)(H,24,26)(H,25,31).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinoxalin-2-ylpyrazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinoxalin-2-ylpyrazole-4-carboxamide has a molecular weight of 2632.71 g/mol, XLogP of 11.44, 45 rotatable bonds, 14 hydrogen bond donors, and 37 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-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-8-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinoxalin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 159627451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159627451 — identifiers, structure, computed properties (public domain)

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