N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-isocyano-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-(3-phenylpyrazol-1-yl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide

C135H123N29O20S — CID 158798616

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-isocyano-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-(3-phenylpyrazol-1-yl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-isocyano-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-(3-phenylpyrazol-1-yl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 158798616) has the molecular formula C135H123N29O20S and a molecular weight of 2503.72 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-isocyano-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-(3-phenylpyrazol-1-yl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-isocyano-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-(3-phenylpyrazol-1-yl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide
• PubChem CID: 158798616
• Molecular Formula: C135H123N29O20S
• Molecular Weight: 2503.72 g/mol
• Exact Mass: 2501.92
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-isocyano-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-(3-phenylpyrazol-1-yl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ccncc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccncc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ncc(-c3ccccc3)o2)n1.Cc1noc(-n2ccc(-c3ccccc3)n2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1sc(C2CC2)nc1-c1ccccc1.[C-]#[N+]c1ccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nc1
• InChI: InChI=1S/2C24H21N5O4.C23H23N5O3.C23H21N3O3S.C21H18N6O3.C20H19N5O3/c1-15-12-19(29(28-15)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;1-15-20(23(32)26-19(21(30)22(25)31)14-16-8-4-2-5-9-16)24(33-28-15)29-13-12-18(27-29)17-10-6-3-7-11-17;1-15-13-20(28(27-15)18-9-11-24-12-10-18)22(30)26-19(14-16-5-3-2-4-6-16)21(29)23(31)25-17-7-8-17;24-21(28)19(27)17(13-14-7-3-1-4-8-14)25-22(29)20-18(15-9-5-2-6-10-15)26-23(30-20)16-11-12-16;1-13-10-17(27(26-13)18-9-8-15(23-2)12-24-18)21(30)25-16(19(28)20(22)29)11-14-6-4-3-5-7-14;1-13-11-17(25(24-13)15-7-9-22-10-8-15)20(28)23-16(18(26)19(21)27)12-14-5-3-2-4-6-14/h2-12,14,18H,13H2,1H3,(H2,25,31)(H,27,32);2-13,19H,14H2,1H3,(H2,25,31)(H,26,32);2-6,9-13,17,19H,7-8,14H2,1H3,(H,25,31)(H,26,30);1-10,16-17H,11-13H2,(H2,24,28)(H,25,29);3-10,12,16H,11H2,1H3,(H2,22,29)(H,25,30);2-11,16H,12H2,1H3,(H2,21,27)(H,23,28)
• InChIKey: ITEMJXVFTMNWEQ-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 718.65 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 46
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2503.72
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-isocyano-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-(3-phenylpyrazol-1-yl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-isocyano-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-(3-phenylpyrazol-1-yl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide (CID 158798616) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-isocyano-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-(3-phenylpyrazol-1-yl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-isocyano-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-(3-phenylpyrazol-1-yl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-isocyano-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-(3-phenylpyrazol-1-yl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ccncc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccncc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ncc(-c3ccccc3)o2)n1.Cc1noc(-n2ccc(-c3ccccc3)n2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1sc(C2CC2)nc1-c1ccccc1.[C-]#[N+]c1ccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-isocyano-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-(3-phenylpyrazol-1-yl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide?

The InChIKey is ITEMJXVFTMNWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H21N5O4.C23H23N5O3.C23H21N3O3S.C21H18N6O3.C20H19N5O3/c1-15-12-19(29(28-15)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;1-15-20(23(32)26-19(21(30)22(25)31)14-16-8-4-2-5-9-16)24(33-28-15)29-13-12-18(27-29)17-10-6-3-7-11-17;1-15-13-20(28(27-15)18-9-11-24-12-10-18)22(30)26-19(14-16-5-3-2-4-6-16)21(29)23(31)25-17-7-8-17;24-21(28)19(27)17(13-14-7-3-1-4-8-14)25-22(29)20-18(15-9-5-2-6-10-15)26-23(30-20)16-11-12-16;1-13-10-17(27(26-13)18-9-8-15(23-2)12-24-18)21(30)25-16(19(28)20(22)29)11-14-6-4-3-5-7-14;1-13-11-17(25(24-13)15-7-9-22-10-8-15)20(28)23-16(18(26)19(21)27)12-14-5-3-2-4-6-14/h2-12,14,18H,13H2,1H3,(H2,25,31)(H,27,32);2-13,19H,14H2,1H3,(H2,25,31)(H,26,32);2-6,9-13,17,19H,7-8,14H2,1H3,(H,25,31)(H,26,30);1-10,16-17H,11-13H2,(H2,24,28)(H,25,29);3-10,12,16H,11H2,1H3,(H2,22,29)(H,25,30);2-11,16H,12H2,1H3,(H2,21,27)(H,23,28).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-isocyano-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-(3-phenylpyrazol-1-yl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-isocyano-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-(3-phenylpyrazol-1-yl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 2503.72 g/mol, XLogP of 11.80, 46 rotatable bonds, 12 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)-2-cyclopropyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-isocyano-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-phenyl-1,3-oxazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-(3-phenylpyrazol-1-yl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 158798616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).