About 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-[(3,4-diethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole;methyl 4-[2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]benzoate;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-[2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]cyclopentanecarboxamide;5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol;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;3-[(3,4-diethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole;methyl 4-[2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]benzoate;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-[2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]cyclopentanecarboxamide;5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol;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 159831927) has the molecular formula C163H173F3N38O21S6
and a molecular weight of 3249.82 g/mol. Its IUPAC name is 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-[(3,4-diethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole;methyl 4-[2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]benzoate;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-[2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]cyclopentanecarboxamide;5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol;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.
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;3-[(3,4-diethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole;methyl 4-[2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]benzoate;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-[2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]cyclopentanecarboxamide;5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol;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;3-[(3,4-diethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole;methyl 4-[2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]benzoate;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-[2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]cyclopentanecarboxamide;5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol;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 159831927) is 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-[(3,4-diethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole;methyl 4-[2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]benzoate;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-[2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]cyclopentanecarboxamide;5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol;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;3-[(3,4-diethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole;methyl 4-[2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]benzoate;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-[2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]cyclopentanecarboxamide;5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol;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;3-[(3,4-diethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole;methyl 4-[2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]benzoate;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-[2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]cyclopentanecarboxamide;5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol;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.CC(C)c1ccc(CSc2nnc(SCCNC(=O)C3CCCC3)s2)cc1.CCOc1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1OCC.COC(=O)c1ccc(CCSc2nnc(COc3cccc(C)c3)o2)cc1.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.OCCCCCSc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-[(3,4-diethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole;methyl 4-[2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]benzoate;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-[2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]cyclopentanecarboxamide;5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol;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 NNOKQDSUVJZPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S.C20H27N3OS3.C20H20N2O4S.C19H18F3N7O.C18H14N6O3.C18H19N5O4.C17H17N5O2.C16H19N3O2.C12H16N4OS/c1-3-27-19-13-12-17(15-21(19)28-4-2)16-30-23-25-24-22(20-11-8-14-29-20)26(23)18-9-6-5-7-10-18;1-14(2)16-9-7-15(8-10-16)13-26-20-23-22-19(27-20)25-12-11-21-18(24)17-5-3-4-6-17;1-14-4-3-5-17(12-14)25-13-18-21-22-20(26-18)27-11-10-15-6-8-16(9-7-15)19(23)24-2;20-19(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;17-8-4-1-5-9-18-12-14-11(15-16-12)10-6-2-3-7-13-10/h5-15H,3-4,16H2,1-2H3;7-10,14,17H,3-6,11-13H2,1-2H3,(H,21,24);3-9,12H,10-11,13H2,1-2H3;1-3,6-9,12H,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;2-3,6-7,17H,1,4-5,8-9H2,(H,14,15,16).
What are the key properties of 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-[(3,4-diethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole;methyl 4-[2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]benzoate;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-[2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]cyclopentanecarboxamide;5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol;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;3-[(3,4-diethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole;methyl 4-[2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]benzoate;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-[2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]cyclopentanecarboxamide;5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol;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 3249.82 g/mol, XLogP of 29.28, 64 rotatable bonds, 11 hydrogen bond donors, and 55 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;3-[(3,4-diethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole;methyl 4-[2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]benzoate;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-[2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]cyclopentanecarboxamide;5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol;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 159831927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).