N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-4-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(4-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide

C123H114N22O16 — CID 159266430

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-4-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(4-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-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)-2-isoquinolin-4-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(4-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 159266430) has the molecular formula C123H114N22O16 and a molecular weight of 2156.40 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-4-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(4-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-4-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(4-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide
• PubChem CID: 159266430
• Molecular Formula: C123H114N22O16
• Molecular Weight: 2156.40 g/mol
• Exact Mass: 2154.88
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-4-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(4-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2cccnc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(COc3ccccc3)cc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cncc3ccccc23)n1.Cc1ccc(-c2ccc(-n3nc(C)cc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)cc2)cc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1[nH]ncc1-c1ccccc1
• InChI: InChI=1S/C28H26N4O4.C28H26N4O3.C24H21N5O3.C23H23N5O3.C20H18N4O3/c1-19-16-25(28(35)30-24(26(33)27(29)34)17-20-8-4-2-5-9-20)32(31-19)22-14-12-21(13-15-22)18-36-23-10-6-3-7-11-23;1-18-8-10-21(11-9-18)22-12-14-23(15-13-22)32-25(16-19(2)31-32)28(35)30-24(26(33)27(29)34)17-20-6-4-3-5-7-20;1-15-11-20(29(28-15)21-14-26-13-17-9-5-6-10-18(17)21)24(32)27-19(22(30)23(25)31)12-16-7-3-2-4-8-16;1-15-12-20(28(27-15)18-8-5-11-24-14-18)22(30)26-19(13-16-6-3-2-4-7-16)21(29)23(31)25-17-9-10-17;21-19(26)18(25)16(11-13-7-3-1-4-8-13)23-20(27)17-15(12-22-24-17)14-9-5-2-6-10-14/h2-16,24H,17-18H2,1H3,(H2,29,34)(H,30,35);3-16,24H,17H2,1-2H3,(H2,29,34)(H,30,35);2-11,13-14,19H,12H2,1H3,(H2,25,31)(H,27,32);2-8,11-12,14,17,19H,9-10,13H2,1H3,(H,25,31)(H,26,30);1-10,12,16H,11H2,(H2,21,26)(H,22,24)(H,23,27)
• InChIKey: KXDVAYZCQMECMK-UHFFFAOYSA-N
• XLogP: 12.07
• TPSA: 567.28 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 40
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2156.40
LogP ≤ 5	12.07
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

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-isoquinolin-4-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(4-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-4-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(4-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide (CID 159266430) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-4-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(4-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-4-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(4-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-4-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(4-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2cccnc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(COc3ccccc3)cc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cncc3ccccc23)n1.Cc1ccc(-c2ccc(-n3nc(C)cc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)cc2)cc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1[nH]ncc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-4-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(4-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide?

The InChIKey is KXDVAYZCQMECMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4.C28H26N4O3.C24H21N5O3.C23H23N5O3.C20H18N4O3/c1-19-16-25(28(35)30-24(26(33)27(29)34)17-20-8-4-2-5-9-20)32(31-19)22-14-12-21(13-15-22)18-36-23-10-6-3-7-11-23;1-18-8-10-21(11-9-18)22-12-14-23(15-13-22)32-25(16-19(2)31-32)28(35)30-24(26(33)27(29)34)17-20-6-4-3-5-7-20;1-15-11-20(29(28-15)21-14-26-13-17-9-5-6-10-18(17)21)24(32)27-19(22(30)23(25)31)12-16-7-3-2-4-8-16;1-15-12-20(28(27-15)18-8-5-11-24-14-18)22(30)26-19(13-16-6-3-2-4-7-16)21(29)23(31)25-17-9-10-17;21-19(26)18(25)16(11-13-7-3-1-4-8-13)23-20(27)17-15(12-22-24-17)14-9-5-2-6-10-14/h2-16,24H,17-18H2,1H3,(H2,29,34)(H,30,35);3-16,24H,17H2,1-2H3,(H2,29,34)(H,30,35);2-11,13-14,19H,12H2,1H3,(H2,25,31)(H,27,32);2-8,11-12,14,17,19H,9-10,13H2,1H3,(H,25,31)(H,26,30);1-10,12,16H,11H2,(H2,21,26)(H,22,24)(H,23,27).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-4-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(4-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-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)-2-isoquinolin-4-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(4-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 2156.40 g/mol, XLogP of 12.07, 40 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-4-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(4-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 159266430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).