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-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-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]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

C145H134F7N27O18S2 — CID 167650437

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-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-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]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)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-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-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]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)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 167650437) has the molecular formula C145H134F7N27O18S2 and a molecular weight of 2739.96 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-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-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]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)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-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-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]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)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: 167650437
• Molecular Formula: C145H134F7N27O18S2
• Molecular Weight: 2739.96 g/mol
• Exact Mass: 2737.97
• 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-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-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]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)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(=O)NC2CC2)nn1-c1nc(-c2ccccc2)cs1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(-c3ccc(F)cc3)cc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(C(F)(F)F)cn2)n1.Cc1cc(C)nc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)s1
• InChI: InChI=1S/C27H23FN4O3.C27H25N5O3S.C24H22F3N5O3.C24H23N3O3S.C22H23N5O3.C21H18F3N5O3/c1-17-15-24(27(35)30-23(25(33)26(29)34)16-18-5-3-2-4-6-18)32(31-17)22-13-9-20(10-14-22)19-7-11-21(28)12-8-19;1-17-14-22(31-32(17)27-30-23(16-36-27)19-10-6-3-7-11-19)25(34)29-21(15-18-8-4-2-5-9-18)24(33)26(35)28-20-12-13-20;1-14-11-19(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;1-15-25-20(17-10-6-3-7-11-17)22(31-15)24(30)27-19(14-16-8-4-2-5-9-16)21(28)23(29)26-18-12-13-18;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;1-12-9-16(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/h2-15,23H,16H2,1H3,(H2,29,34)(H,30,35);2-11,14,16,20-21H,12-13,15H2,1H3,(H,28,35)(H,29,34);2-7,10-11,13,17-18H,8-9,12H2,1H3,(H,29,35)(H,30,34);2-11,18-19H,12-14H2,1H3,(H,26,29)(H,27,30);4-11,17H,12H2,1-3H3,(H2,23,29)(H,25,30);2-9,11,15H,10H2,1H3,(H2,25,31)(H,27,32)
• InChIKey: QMPGLCIFSSRRPD-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 647.14 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 47
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2739.96
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

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-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-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]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)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-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-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]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (CID 167650437) 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-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-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]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)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-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-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]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)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-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-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]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)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(=O)NC2CC2)nn1-c1nc(-c2ccccc2)cs1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(-c3ccc(F)cc3)cc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(C(F)(F)F)cn2)n1.Cc1cc(C)nc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)s1.

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-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-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]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)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 QMPGLCIFSSRRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O3.C27H25N5O3S.C24H22F3N5O3.C24H23N3O3S.C22H23N5O3.C21H18F3N5O3/c1-17-15-24(27(35)30-23(25(33)26(29)34)16-18-5-3-2-4-6-18)32(31-17)22-13-9-20(10-14-22)19-7-11-21(28)12-8-19;1-17-14-22(31-32(17)27-30-23(16-36-27)19-10-6-3-7-11-19)25(34)29-21(15-18-8-4-2-5-9-18)24(33)26(35)28-20-12-13-20;1-14-11-19(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;1-15-25-20(17-10-6-3-7-11-17)22(31-15)24(30)27-19(14-16-8-4-2-5-9-16)21(28)23(29)26-18-12-13-18;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;1-12-9-16(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/h2-15,23H,16H2,1H3,(H2,29,34)(H,30,35);2-11,14,16,20-21H,12-13,15H2,1H3,(H,28,35)(H,29,34);2-7,10-11,13,17-18H,8-9,12H2,1H3,(H,29,35)(H,30,34);2-11,18-19H,12-14H2,1H3,(H,26,29)(H,27,30);4-11,17H,12H2,1-3H3,(H2,23,29)(H,25,30);2-9,11,15H,10H2,1H3,(H2,25,31)(H,27,32).

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-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-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]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)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-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-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]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)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 2739.96 g/mol, XLogP of 16.54, 47 rotatable bonds, 12 hydrogen bond donors, and 35 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-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-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]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)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 167650437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).