3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;3-phenylmethoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

C88H87F3N26O12 — CID 160562963

About 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;3-phenylmethoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide;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;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;3-phenylmethoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 160562963) has the molecular formula C88H87F3N26O12 and a molecular weight of 1757.83 g/mol. Its IUPAC name is 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;3-phenylmethoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide;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;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;3-phenylmethoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
• PubChem CID: 160562963
• Molecular Formula: C88H87F3N26O12
• Molecular Weight: 1757.83 g/mol
• Exact Mass: 1756.69
• IUPAC Name: 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;3-phenylmethoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide;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.COc1cc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc(OC)c1OC.O=C(CCOCc1ccccc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCN(c2ncccc2C(F)(F)F)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Cn2ccccc2=O)o1
• InChI: InChI=1S/C19H18F3N7O.C18H14N6O3.C18H19N5O4.C17H17N5O2.C16H19N3O2/c20-19(21,22)13-6-3-9-24-16(13)29-10-4-5-12(11-29)17(30)26-18-25-15(27-28-18)14-7-1-2-8-23-14;25-15-6-2-4-10-24(15)11-12-7-8-14(27-12)17(26)21-18-20-16(22-23-18)13-5-1-3-9-19-13;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;23-15(9-11-24-12-13-6-2-1-3-7-13)19-17-20-16(21-22-17)14-8-4-5-10-18-14;1-3-4-9-21-12(2)16(20)11-13-10-15(19-18-13)14-7-5-6-8-17-14/h1-3,6-9,12H,4-5,10-11H2,(H2,25,26,27,28,30);1-10H,11H2,(H2,20,21,22,23,26);4-9H,10H2,1-3H3,(H2,20,21,22,23,24);1-8,10H,9,11-12H2,(H2,19,20,21,22,23);3,5-8,12H,1,4,9-11H2,2H3
• InChIKey: QZODJMOMHGEIJV-UHFFFAOYSA-N
• XLogP: 12.11
• TPSA: 486.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1757.83
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

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;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;3-phenylmethoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide;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;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;3-phenylmethoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 160562963) is 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;3-phenylmethoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide;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;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;3-phenylmethoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide;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;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;3-phenylmethoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide;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.COc1cc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc(OC)c1OC.O=C(CCOCc1ccccc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCN(c2ncccc2C(F)(F)F)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)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;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;3-phenylmethoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?

The InChIKey is QZODJMOMHGEIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O.C18H14N6O3.C18H19N5O4.C17H17N5O2.C16H19N3O2/c20-19(21,22)13-6-3-9-24-16(13)29-10-4-5-12(11-29)17(30)26-18-25-15(27-28-18)14-7-1-2-8-23-14;25-15-6-2-4-10-24(15)11-12-7-8-14(27-12)17(26)21-18-20-16(22-23-18)13-5-1-3-9-19-13;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;23-15(9-11-24-12-13-6-2-1-3-7-13)19-17-20-16(21-22-17)14-8-4-5-10-18-14;1-3-4-9-21-12(2)16(20)11-13-10-15(19-18-13)14-7-5-6-8-17-14/h1-3,6-9,12H,4-5,10-11H2,(H2,25,26,27,28,30);1-10H,11H2,(H2,20,21,22,23,26);4-9H,10H2,1-3H3,(H2,20,21,22,23,24);1-8,10H,9,11-12H2,(H2,19,20,21,22,23);3,5-8,12H,1,4,9-11H2,2H3.

What are the key properties of 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;3-phenylmethoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide;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;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;3-phenylmethoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 1757.83 g/mol, XLogP of 12.11, 31 rotatable bonds, 8 hydrogen bond donors, and 30 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;5-[(2-oxo-1-pyridinyl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide;3-phenylmethoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 160562963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).