N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide;3-tert-butyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-phenylpyrazole-5-carboxamide;2-cyclopropyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-thiazole-5-carboxamide

C114H111N23O16S — CID 158446673

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide;3-tert-butyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-phenylpyrazole-5-carboxamide;2-cyclopropyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-thiazole-5-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide;3-tert-butyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-phenylpyrazole-5-carboxamide;2-cyclopropyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 158446673) has the molecular formula C114H111N23O16S and a molecular weight of 2091.35 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide;3-tert-butyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-phenylpyrazole-5-carboxamide;2-cyclopropyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide;3-tert-butyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-phenylpyrazole-5-carboxamide;2-cyclopropyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-thiazole-5-carboxamide
• PubChem CID: 158446673
• Molecular Formula: C114H111N23O16S
• Molecular Weight: 2091.35 g/mol
• Exact Mass: 2089.83
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide;3-tert-butyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-phenylpyrazole-5-carboxamide;2-cyclopropyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-thiazole-5-carboxamide
• SMILES: CC(C)(C)c1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ccccc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccnc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cncnc2)n1.Cc1noc(-n2cc3ccccc3n2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1sc(C2CC2)nc1-c1ccccc1
• InChI: InChI=1S/C27H30N4O3.C26H25N3O3S.C22H19N5O4.C20H19N5O3.C19H18N6O3/c1-27(2,3)23-17-22(31(30-23)20-12-8-5-9-13-20)25(33)29-21(16-18-10-6-4-7-11-18)24(32)26(34)28-19-14-15-19;30-22(24(31)27-19-13-14-19)20(15-16-7-3-1-4-8-16)28-25(32)23-21(17-9-5-2-6-10-17)29-26(33-23)18-11-12-18;1-13-18(22(31-26-13)27-12-15-9-5-6-10-16(15)25-27)21(30)24-17(19(28)20(23)29)11-14-7-3-2-4-8-14;1-13-10-17(25(24-13)15-8-5-9-22-12-15)20(28)23-16(18(26)19(21)27)11-14-6-3-2-4-7-14;1-12-7-16(25(24-12)14-9-21-11-22-10-14)19(28)23-15(17(26)18(20)27)8-13-5-3-2-4-6-13/h4-13,17,19,21H,14-16H2,1-3H3,(H,28,34)(H,29,33);1-10,18-20H,11-15H2,(H,27,31)(H,28,32);2-10,12,17H,11H2,1H3,(H2,23,29)(H,24,30);2-10,12,16H,11H2,1H3,(H2,21,27)(H,23,28);2-7,9-11,15H,8H2,1H3,(H2,20,27)(H,23,28)
• InChIKey: HDLZFRWOQVZAEA-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 567.19 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 38
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2091.35
LogP ≤ 5	10.29
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-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide;3-tert-butyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-phenylpyrazole-5-carboxamide;2-cyclopropyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide;3-tert-butyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-phenylpyrazole-5-carboxamide;2-cyclopropyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-thiazole-5-carboxamide (CID 158446673) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide;3-tert-butyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-phenylpyrazole-5-carboxamide;2-cyclopropyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide;3-tert-butyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-phenylpyrazole-5-carboxamide;2-cyclopropyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide;3-tert-butyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-phenylpyrazole-5-carboxamide;2-cyclopropyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-thiazole-5-carboxamide is CC(C)(C)c1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ccccc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccnc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cncnc2)n1.Cc1noc(-n2cc3ccccc3n2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1sc(C2CC2)nc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide;3-tert-butyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-phenylpyrazole-5-carboxamide;2-cyclopropyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-thiazole-5-carboxamide?

The InChIKey is HDLZFRWOQVZAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3.C26H25N3O3S.C22H19N5O4.C20H19N5O3.C19H18N6O3/c1-27(2,3)23-17-22(31(30-23)20-12-8-5-9-13-20)25(33)29-21(16-18-10-6-4-7-11-18)24(32)26(34)28-19-14-15-19;30-22(24(31)27-19-13-14-19)20(15-16-7-3-1-4-8-16)28-25(32)23-21(17-9-5-2-6-10-17)29-26(33-23)18-11-12-18;1-13-18(22(31-26-13)27-12-15-9-5-6-10-16(15)25-27)21(30)24-17(19(28)20(23)29)11-14-7-3-2-4-8-14;1-13-10-17(25(24-13)15-8-5-9-22-12-15)20(28)23-16(18(26)19(21)27)11-14-6-3-2-4-7-14;1-12-7-16(25(24-12)14-9-21-11-22-10-14)19(28)23-15(17(26)18(20)27)8-13-5-3-2-4-6-13/h4-13,17,19,21H,14-16H2,1-3H3,(H,28,34)(H,29,33);1-10,18-20H,11-15H2,(H,27,31)(H,28,32);2-10,12,17H,11H2,1H3,(H2,23,29)(H,24,30);2-10,12,16H,11H2,1H3,(H2,21,27)(H,23,28);2-7,9-11,15H,8H2,1H3,(H2,20,27)(H,23,28).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide;3-tert-butyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-phenylpyrazole-5-carboxamide;2-cyclopropyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-thiazole-5-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide;3-tert-butyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-phenylpyrazole-5-carboxamide;2-cyclopropyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 2091.35 g/mol, XLogP of 10.29, 38 rotatable bonds, 10 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)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide;3-tert-butyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-phenylpyrazole-5-carboxamide;2-cyclopropyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158446673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).