N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-isoquinolin-5-ylpyrazole-4-carboxamide;N-(3,4-dioxopentan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide

C122H106F4N22O21S3 — CID 161398236

About N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-isoquinolin-5-ylpyrazole-4-carboxamide;N-(3,4-dioxopentan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide

N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-isoquinolin-5-ylpyrazole-4-carboxamide;N-(3,4-dioxopentan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 161398236) has the molecular formula C122H106F4N22O21S3 and a molecular weight of 2388.52 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-isoquinolin-5-ylpyrazole-4-carboxamide;N-(3,4-dioxopentan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-isoquinolin-5-ylpyrazole-4-carboxamide;N-(3,4-dioxopentan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide
• PubChem CID: 161398236
• Molecular Formula: C122H106F4N22O21S3
• Molecular Weight: 2388.52 g/mol
• Exact Mass: 2386.70
• IUPAC Name: N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-isoquinolin-5-ylpyrazole-4-carboxamide;N-(3,4-dioxopentan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide
• SMILES: CC(=O)C(=O)C(C)NC(=O)c1nsnc1-c1ccccc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cc(C)nn1-c1ccccn1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cccc2cnccc12.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccoc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc2c1OC(F)(F)O2.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccn1
• InChI: InChI=1S/C25H20F2N4O3.C21H15F2N3O5S.C21H19N5O3S.C21H20N4O3.C20H19N3O4.C14H13N3O3S/c1-15(32)23(33)21(12-16-6-3-2-4-7-16)29-24(34)20-14-31(25(26)27)30-22(20)19-9-5-8-17-13-28-11-10-18(17)19;1-11(27)18(28)14(10-12-6-3-2-4-7-12)24-20(29)17-16(25-32-26-17)13-8-5-9-15-19(13)31-21(22,23)30-15;27-19(21(29)23-14-9-10-14)16(12-13-6-2-1-3-7-13)24-20(28)18-17(25-30-26-18)15-8-4-5-11-22-15;1-14-12-18(25(24-14)19-10-6-7-11-22-19)21(28)23-17(20(27)15(2)26)13-16-8-4-3-5-9-16;1-13(24)19(25)17(10-14-6-4-3-5-7-14)21-20(26)16-11-23(2)22-18(16)15-8-9-27-12-15;1-8(13(19)9(2)18)15-14(20)12-11(16-21-17-12)10-6-4-3-5-7-10/h2-11,13-14,21,25H,12H2,1H3,(H,29,34);2-9,14H,10H2,1H3,(H,24,29);1-8,11,14,16H,9-10,12H2,(H,23,29)(H,24,28);3-12,17H,13H2,1-2H3,(H,23,28);3-9,11-12,17H,10H2,1-2H3,(H,21,26);3-8H,1-2H3,(H,15,20)
• InChIKey: VTWRAWQDRZKIEK-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 592.54 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 42
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2388.52
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-isoquinolin-5-ylpyrazole-4-carboxamide;N-(3,4-dioxopentan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-isoquinolin-5-ylpyrazole-4-carboxamide;N-(3,4-dioxopentan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide (CID 161398236) is N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-isoquinolin-5-ylpyrazole-4-carboxamide;N-(3,4-dioxopentan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-isoquinolin-5-ylpyrazole-4-carboxamide;N-(3,4-dioxopentan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-isoquinolin-5-ylpyrazole-4-carboxamide;N-(3,4-dioxopentan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide is CC(=O)C(=O)C(C)NC(=O)c1nsnc1-c1ccccc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cc(C)nn1-c1ccccn1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cccc2cnccc12.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccoc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc2c1OC(F)(F)O2.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccn1.

What is the InChIKey of N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-isoquinolin-5-ylpyrazole-4-carboxamide;N-(3,4-dioxopentan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide?

The InChIKey is VTWRAWQDRZKIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O3.C21H15F2N3O5S.C21H19N5O3S.C21H20N4O3.C20H19N3O4.C14H13N3O3S/c1-15(32)23(33)21(12-16-6-3-2-4-7-16)29-24(34)20-14-31(25(26)27)30-22(20)19-9-5-8-17-13-28-11-10-18(17)19;1-11(27)18(28)14(10-12-6-3-2-4-7-12)24-20(29)17-16(25-32-26-17)13-8-5-9-15-19(13)31-21(22,23)30-15;27-19(21(29)23-14-9-10-14)16(12-13-6-2-1-3-7-13)24-20(28)18-17(25-30-26-18)15-8-4-5-11-22-15;1-14-12-18(25(24-14)19-10-6-7-11-22-19)21(28)23-17(20(27)15(2)26)13-16-8-4-3-5-9-16;1-13(24)19(25)17(10-14-6-4-3-5-7-14)21-20(26)16-11-23(2)22-18(16)15-8-9-27-12-15;1-8(13(19)9(2)18)15-14(20)12-11(16-21-17-12)10-6-4-3-5-7-10/h2-11,13-14,21,25H,12H2,1H3,(H,29,34);2-9,14H,10H2,1H3,(H,24,29);1-8,11,14,16H,9-10,12H2,(H,23,29)(H,24,28);3-12,17H,13H2,1-2H3,(H,23,28);3-9,11-12,17H,10H2,1-2H3,(H,21,26);3-8H,1-2H3,(H,15,20).

What are the key properties of N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-isoquinolin-5-ylpyrazole-4-carboxamide;N-(3,4-dioxopentan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide?

N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-isoquinolin-5-ylpyrazole-4-carboxamide;N-(3,4-dioxopentan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 2388.52 g/mol, XLogP of 14.54, 42 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-isoquinolin-5-ylpyrazole-4-carboxamide;N-(3,4-dioxopentan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 161398236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).