N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-phenylpyrazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide

C₁₃₅H₁₂₇N₃₃O₁₈S — CID 159962458

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-phenylpyrazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-phenylpyrazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide (PubChem CID 159962458) has the molecular formula C₁₃₅H₁₂₇N₃₃O₁₈S and a molecular weight of 2531.78 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-phenylpyrazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-phenylpyrazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide
• PubChem CID: 159962458
• Molecular Formula: C₁₃₅H₁₂₇N₃₃O₁₈S
• Molecular Weight: 2531.78 g/mol
• Exact Mass: 2529.98
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-phenylpyrazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ncccc2C)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ncccn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ncccc2C)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1ccn(-c2ccccc2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1n[nH]c2ccccc12.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1scnc1-n1cc2ccccc2n1
• InChI: InChI=1S/C24H21N5O3S.C24H25N5O3.C23H20N6O3.C22H22N6O3.C21H18N6O3.C21H21N5O3/c30-20(23(31)26-17-10-11-17)19(12-15-6-2-1-3-7-15)27-24(32)21-22(25-14-33-21)29-13-16-8-4-5-9-18(16)28-29;1-15-7-6-12-25-22(15)29-20(13-16(2)28-29)23(31)27-19(14-17-8-4-3-5-9-17)21(30)24(32)26-18-10-11-18;24-22(31)21(30)18(13-16-7-3-1-4-8-16)26-23(32)19-14-25-15-28(19)20-11-12-29(27-20)17-9-5-2-6-10-17;1-14-12-18(28(27-14)22-23-10-5-11-24-22)20(30)26-17(13-15-6-3-2-4-7-15)19(29)21(31)25-16-8-9-16;22-19(29)18(28)16(10-13-6-2-1-3-7-13)24-21(30)17-11-23-12-27(17)20-14-8-4-5-9-15(14)25-26-20;1-13-7-6-10-23-20(13)26-17(11-14(2)25-26)21(29)24-16(18(27)19(22)28)12-15-8-4-3-5-9-15/h1-9,13-14,17,19H,10-12H2,(H,26,31)(H,27,32);3-9,12-13,18-19H,10-11,14H2,1-2H3,(H,26,32)(H,27,31);1-12,14-15,18H,13H2,(H2,24,31)(H,26,32);2-7,10-12,16-17H,8-9,13H2,1H3,(H,25,31)(H,26,30);1-9,11-12,16H,10H2,(H2,22,29)(H,24,30)(H,25,26);3-11,16H,12H2,1-2H3,(H2,22,28)(H,24,29)
• InChIKey: ODMUNNPBLJXHKG-UHFFFAOYSA-N
• XLogP: 9.78
• TPSA: 711.46 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 39
• Rotatable Bonds: 46
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2531.78
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	39

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-(1H-indazol-3-yl)imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-phenylpyrazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-phenylpyrazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide (CID 159962458) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-phenylpyrazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-phenylpyrazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-phenylpyrazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ncccc2C)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ncccn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ncccc2C)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1ccn(-c2ccccc2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1n[nH]c2ccccc12.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1scnc1-n1cc2ccccc2n1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-phenylpyrazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide?

The InChIKey is ODMUNNPBLJXHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S.C24H25N5O3.C23H20N6O3.C22H22N6O3.C21H18N6O3.C21H21N5O3/c30-20(23(31)26-17-10-11-17)19(12-15-6-2-1-3-7-15)27-24(32)21-22(25-14-33-21)29-13-16-8-4-5-9-18(16)28-29;1-15-7-6-12-25-22(15)29-20(13-16(2)28-29)23(31)27-19(14-17-8-4-3-5-9-17)21(30)24(32)26-18-10-11-18;24-22(31)21(30)18(13-16-7-3-1-4-8-16)26-23(32)19-14-25-15-28(19)20-11-12-29(27-20)17-9-5-2-6-10-17;1-14-12-18(28(27-14)22-23-10-5-11-24-22)20(30)26-17(13-15-6-3-2-4-7-15)19(29)21(31)25-16-8-9-16;22-19(29)18(28)16(10-13-6-2-1-3-7-13)24-21(30)17-11-23-12-27(17)20-14-8-4-5-9-15(14)25-26-20;1-13-7-6-10-23-20(13)26-17(11-14(2)25-26)21(29)24-16(18(27)19(22)28)12-15-8-4-3-5-9-15/h1-9,13-14,17,19H,10-12H2,(H,26,31)(H,27,32);3-9,12-13,18-19H,10-11,14H2,1-2H3,(H,26,32)(H,27,31);1-12,14-15,18H,13H2,(H2,24,31)(H,26,32);2-7,10-12,16-17H,8-9,13H2,1H3,(H,25,31)(H,26,30);1-9,11-12,16H,10H2,(H2,22,29)(H,24,30)(H,25,26);3-11,16H,12H2,1-2H3,(H2,22,28)(H,24,29).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-phenylpyrazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-phenylpyrazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide has a molecular weight of 2531.78 g/mol, XLogP of 9.78, 46 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-phenylpyrazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-indazol-2-yl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 159962458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159962458 — identifiers, structure, computed properties (public domain)

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