N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylfuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenyl-1,2-thiazole-4-carboxamide

C138H130N24O19S2 — CID 167551150

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylfuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenyl-1,2-thiazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylfuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenyl-1,2-thiazole-4-carboxamide (PubChem CID 167551150) has the molecular formula C138H130N24O19S2 and a molecular weight of 2492.84 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylfuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenyl-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylfuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenyl-1,2-thiazole-4-carboxamide
• PubChem CID: 167551150
• Molecular Formula: C138H130N24O19S2
• Molecular Weight: 2492.84 g/mol
• Exact Mass: 2490.94
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylfuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenyl-1,2-thiazole-4-carboxamide
• SMILES: CC(C)c1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccccc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)o1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nccc3ccccc23)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nn1-c1ncc(-c2ccccc2)s1.Cc1ccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nc1.Cc1nsc(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NC1CC1
• InChI: InChI=1S/C24H21N5O3S.C24H21N5O3.C24H23N3O3S.C23H24N4O3.C22H20N2O4.C21H21N5O3/c1-15-12-19(28-29(15)24-26-14-20(33-24)17-10-6-3-7-11-17)23(32)27-18(21(30)22(25)31)13-16-8-4-2-5-9-16;1-15-13-20(29(28-15)23-18-10-6-5-9-17(18)11-12-26-23)24(32)27-19(21(30)22(25)31)14-16-7-3-2-4-8-16;1-15-20(22(31-27-15)17-10-6-3-7-11-17)23(29)26-19(14-16-8-4-2-5-9-16)21(28)24(30)25-18-12-13-18;1-15(2)18-14-20(27(26-18)17-11-7-4-8-12-17)23(30)25-19(21(28)22(24)29)13-16-9-5-3-6-10-16;1-14-12-17(20(28-14)16-10-6-3-7-11-16)22(27)24-18(19(25)21(23)26)13-15-8-4-2-5-9-15;1-13-8-9-18(23-12-13)26-17(10-14(2)25-26)21(29)24-16(19(27)20(22)28)11-15-6-4-3-5-7-15/h2-12,14,18H,13H2,1H3,(H2,25,31)(H,27,32);2-13,19H,14H2,1H3,(H2,25,31)(H,27,32);2-11,18-19H,12-14H2,1H3,(H,25,30)(H,26,29);3-12,14-15,19H,13H2,1-2H3,(H2,24,29)(H,25,30);2-12,18H,13H2,1H3,(H2,23,26)(H,24,27);3-10,12,16H,11H2,1-2H3,(H2,22,28)(H,24,29)
• InChIKey: CKMXSAUCJIUCMJ-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 657.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 45
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2492.84
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

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)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylfuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenyl-1,2-thiazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylfuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenyl-1,2-thiazole-4-carboxamide (CID 167551150) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylfuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenyl-1,2-thiazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylfuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenyl-1,2-thiazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylfuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenyl-1,2-thiazole-4-carboxamide is CC(C)c1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccccc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)o1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nccc3ccccc23)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nn1-c1ncc(-c2ccccc2)s1.Cc1ccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nc1.Cc1nsc(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NC1CC1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylfuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenyl-1,2-thiazole-4-carboxamide?

The InChIKey is CKMXSAUCJIUCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S.C24H21N5O3.C24H23N3O3S.C23H24N4O3.C22H20N2O4.C21H21N5O3/c1-15-12-19(28-29(15)24-26-14-20(33-24)17-10-6-3-7-11-17)23(32)27-18(21(30)22(25)31)13-16-8-4-2-5-9-16;1-15-13-20(29(28-15)23-18-10-6-5-9-17(18)11-12-26-23)24(32)27-19(21(30)22(25)31)14-16-7-3-2-4-8-16;1-15-20(22(31-27-15)17-10-6-3-7-11-17)23(29)26-19(14-16-8-4-2-5-9-16)21(28)24(30)25-18-12-13-18;1-15(2)18-14-20(27(26-18)17-11-7-4-8-12-17)23(30)25-19(21(28)22(24)29)13-16-9-5-3-6-10-16;1-14-12-17(20(28-14)16-10-6-3-7-11-16)22(27)24-18(19(25)21(23)26)13-15-8-4-2-5-9-15;1-13-8-9-18(23-12-13)26-17(10-14(2)25-26)21(29)24-16(19(27)20(22)28)11-15-6-4-3-5-7-15/h2-12,14,18H,13H2,1H3,(H2,25,31)(H,27,32);2-13,19H,14H2,1H3,(H2,25,31)(H,27,32);2-11,18-19H,12-14H2,1H3,(H,25,30)(H,26,29);3-12,14-15,19H,13H2,1-2H3,(H2,24,29)(H,25,30);2-12,18H,13H2,1H3,(H2,23,26)(H,24,27);3-10,12,16H,11H2,1-2H3,(H2,22,28)(H,24,29).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylfuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenyl-1,2-thiazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylfuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenyl-1,2-thiazole-4-carboxamide has a molecular weight of 2492.84 g/mol, XLogP of 14.45, 45 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylfuran-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(5-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 167551150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).