N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-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-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

C134H125F6N27O19 — CID 158466187

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-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-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-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-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 158466187) has the molecular formula C134H125F6N27O19 and a molecular weight of 2531.63 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-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-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-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-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
• PubChem CID: 158466187
• Molecular Formula: C134H125F6N27O19
• Molecular Weight: 2531.63 g/mol
• Exact Mass: 2529.95
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-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-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ccc(C(F)(F)F)cn2)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(-c2ccc(C(F)(F)F)cn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nccc3ccccc23)n1.Cc1cc(C)nc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1ccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nc1
• InChI: InChI=1S/C24H22F3N5O3.C24H21N5O3.C22H23N5O3.C22H20N2O4.C21H18F3N5O3.C21H21N5O3/c1-14-11-19(32(31-14)20-10-7-16(13-28-20)24(25,26)27)22(34)30-18(12-15-5-3-2-4-6-15)21(33)23(35)29-17-8-9-17;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;1-13-9-14(2)24-19(10-13)27-18(11-15(3)26-27)22(30)25-17(20(28)21(23)29)12-16-7-5-4-6-8-16;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;1-12-9-16(29(28-12)17-8-7-14(11-26-17)21(22,23)24)20(32)27-15(18(30)19(25)31)10-13-5-3-2-4-6-13;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/h2-7,10-11,13,17-18H,8-9,12H2,1H3,(H,29,35)(H,30,34);2-13,19H,14H2,1H3,(H2,25,31)(H,27,32);4-11,17H,12H2,1-3H3,(H2,23,29)(H,25,30);2-12,18H,13H2,1H3,(H2,23,26)(H,24,27);2-9,11,15H,10H2,1H3,(H2,25,31)(H,27,32);3-10,12,16H,11H2,1-2H3,(H2,22,28)(H,24,29)
• InChIKey: HFTXCTZUBRDLHB-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 688.26 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 43
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2531.63
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

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-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-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-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-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-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (CID 158466187) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-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-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-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-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-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-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ccc(C(F)(F)F)cn2)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(-c2ccc(C(F)(F)F)cn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nccc3ccccc23)n1.Cc1cc(C)nc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1ccc(-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-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-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-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?

The InChIKey is HFTXCTZUBRDLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3.C24H21N5O3.C22H23N5O3.C22H20N2O4.C21H18F3N5O3.C21H21N5O3/c1-14-11-19(32(31-14)20-10-7-16(13-28-20)24(25,26)27)22(34)30-18(12-15-5-3-2-4-6-15)21(33)23(35)29-17-8-9-17;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;1-13-9-14(2)24-19(10-13)27-18(11-15(3)26-27)22(30)25-17(20(28)21(23)29)12-16-7-5-4-6-8-16;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;1-12-9-16(29(28-12)17-8-7-14(11-26-17)21(22,23)24)20(32)27-15(18(30)19(25)31)10-13-5-3-2-4-6-13;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/h2-7,10-11,13,17-18H,8-9,12H2,1H3,(H,29,35)(H,30,34);2-13,19H,14H2,1H3,(H2,25,31)(H,27,32);4-11,17H,12H2,1-3H3,(H2,23,29)(H,25,30);2-12,18H,13H2,1H3,(H2,23,26)(H,24,27);2-9,11,15H,10H2,1H3,(H2,25,31)(H,27,32);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-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-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-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-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-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 2531.63 g/mol, XLogP of 12.42, 43 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-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-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 158466187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).