3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-pyrrol-2-yl)furan-2-carboxamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

C134H128F4N34O21S — CID 160884718

About 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-pyrrol-2-yl)furan-2-carboxamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-pyrrol-2-yl)furan-2-carboxamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 160884718) has the molecular formula C134H128F4N34O21S and a molecular weight of 2658.77 g/mol. Its IUPAC name is 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-pyrrol-2-yl)furan-2-carboxamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-pyrrol-2-yl)furan-2-carboxamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
• PubChem CID: 160884718
• Molecular Formula: C134H128F4N34O21S
• Molecular Weight: 2658.77 g/mol
• Exact Mass: 2656.97
• IUPAC Name: 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-pyrrol-2-yl)furan-2-carboxamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
• SMILES: C=CCCOC(C)C(=O)CC1=NN=C(c2ccccn2)C1.CC(OCC(F)(F)F)C(=O)CC1=NN=C(c2ccccn2)C1.COc1cc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc(OC)c1OC.COc1ccccc1CC(=O)Nc1n[nH]c(-c2ccccn2)n1.C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)CC1=NN=C(c2ccccn2)C1.Cc1c(C(=O)NC2=NN=C(c3ccccn3)C2)oc2c1C(=O)CCC2.Cn1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1=O.O=C(Nc1ccc(-c2ccccn2)[nH]1)c1ccc(Cn2ccccc2=O)o1
• InChI: InChI=1S/C20H16N4O3.C18H17FN4O3S.C18H19N5O4.C18H16N4O3.C16H15N5O2.C16H19N3O2.C14H14F3N3O2.C14H12N6O2/c25-19-6-2-4-12-24(19)13-14-7-9-17(27-14)20(26)23-18-10-8-16(22-18)15-5-1-3-11-21-15;1-12(23-27(25,26)18-8-3-2-6-14(18)19)17(24)11-13-10-16(22-21-13)15-7-4-5-9-20-15;1-25-13-8-11(9-14(26-2)16(13)27-3)10-15(24)20-18-21-17(22-23-18)12-6-4-5-7-19-12;1-10-16-13(23)6-4-7-14(16)25-17(10)18(24)20-15-9-12(21-22-15)11-5-2-3-8-19-11;1-23-13-8-3-2-6-11(13)10-14(22)18-16-19-15(20-21-16)12-7-4-5-9-17-12;1-3-4-9-21-12(2)16(20)11-13-10-15(19-18-13)14-7-5-6-8-17-14;1-9(22-8-14(15,16)17)13(21)7-10-6-12(20-19-10)11-4-2-3-5-18-11;1-20-7-5-9(8-11(20)21)13(22)17-14-16-12(18-19-14)10-4-2-3-6-15-10/h1-12,22H,13H2,(H,23,26);2-9,12,23H,10-11H2,1H3;4-9H,10H2,1-3H3,(H2,20,21,22,23,24);2-3,5,8H,4,6-7,9H2,1H3,(H,20,22,24);2-9H,10H2,1H3,(H2,18,19,20,21,22);3,5-8,12H,1,4,9-11H2,2H3;2-5,9H,6-8H2,1H3;2-8H,1H3,(H2,16,17,18,19,22)/t;12-;;;;;;/m.0....../s1
• InChIKey: SNMIKSYSOTUQJX-OOIVVVPGSA-N
• XLogP: 17.74
• TPSA: 728.11 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 45
• Rotatable Bonds: 43
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2658.77
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-pyrrol-2-yl)furan-2-carboxamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?

The IUPAC name of 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-pyrrol-2-yl)furan-2-carboxamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 160884718) is 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-pyrrol-2-yl)furan-2-carboxamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

What is the SMILES notation for 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-pyrrol-2-yl)furan-2-carboxamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?

The canonical SMILES for 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-pyrrol-2-yl)furan-2-carboxamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is C=CCCOC(C)C(=O)CC1=NN=C(c2ccccn2)C1.CC(OCC(F)(F)F)C(=O)CC1=NN=C(c2ccccn2)C1.COc1cc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc(OC)c1OC.COc1ccccc1CC(=O)Nc1n[nH]c(-c2ccccn2)n1.C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)CC1=NN=C(c2ccccn2)C1.Cc1c(C(=O)NC2=NN=C(c3ccccn3)C2)oc2c1C(=O)CCC2.Cn1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1=O.O=C(Nc1ccc(-c2ccccn2)[nH]1)c1ccc(Cn2ccccc2=O)o1.

What is the InChIKey of 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-pyrrol-2-yl)furan-2-carboxamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?

The InChIKey is SNMIKSYSOTUQJX-OOIVVVPGSA-N. The full InChI is InChI=1S/C20H16N4O3.C18H17FN4O3S.C18H19N5O4.C18H16N4O3.C16H15N5O2.C16H19N3O2.C14H14F3N3O2.C14H12N6O2/c25-19-6-2-4-12-24(19)13-14-7-9-17(27-14)20(26)23-18-10-8-16(22-18)15-5-1-3-11-21-15;1-12(23-27(25,26)18-8-3-2-6-14(18)19)17(24)11-13-10-16(22-21-13)15-7-4-5-9-20-15;1-25-13-8-11(9-14(26-2)16(13)27-3)10-15(24)20-18-21-17(22-23-18)12-6-4-5-7-19-12;1-10-16-13(23)6-4-7-14(16)25-17(10)18(24)20-15-9-12(21-22-15)11-5-2-3-8-19-11;1-23-13-8-3-2-6-11(13)10-14(22)18-16-19-15(20-21-16)12-7-4-5-9-17-12;1-3-4-9-21-12(2)16(20)11-13-10-15(19-18-13)14-7-5-6-8-17-14;1-9(22-8-14(15,16)17)13(21)7-10-6-12(20-19-10)11-4-2-3-5-18-11;1-20-7-5-9(8-11(20)21)13(22)17-14-16-12(18-19-14)10-4-2-3-6-15-10/h1-12,22H,13H2,(H,23,26);2-9,12,23H,10-11H2,1H3;4-9H,10H2,1-3H3,(H2,20,21,22,23,24);2-3,5,8H,4,6-7,9H2,1H3,(H,20,22,24);2-9H,10H2,1H3,(H2,18,19,20,21,22);3,5-8,12H,1,4,9-11H2,2H3;2-5,9H,6-8H2,1H3;2-8H,1H3,(H2,16,17,18,19,22)/t;12-;;;;;;/m.0....../s1.

What are the key properties of 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-pyrrol-2-yl)furan-2-carboxamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?

3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-pyrrol-2-yl)furan-2-carboxamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 2658.77 g/mol, XLogP of 17.74, 43 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-fluoro-N-[(2S)-3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]benzenesulfonamide;2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-4-oxo-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-pyrrol-2-yl)furan-2-carboxamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 160884718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).