About 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(2,4-difluorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;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;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(1-methylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;3-methyl-2-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]-6,7-dihydro-5H-1-benzofuran-4-one;2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one
3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(2,4-difluorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;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;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(1-methylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;3-methyl-2-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]-6,7-dihydro-5H-1-benzofuran-4-one;2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one (PubChem CID 158323943) has the molecular formula C142H136F6N42O18S2
and a molecular weight of 2897.05 g/mol. Its IUPAC name is 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(2,4-difluorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;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;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(1-methylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;3-methyl-2-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]-6,7-dihydro-5H-1-benzofuran-4-one;2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one.
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-(2,4-difluorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;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;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(1-methylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;3-methyl-2-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]-6,7-dihydro-5H-1-benzofuran-4-one;2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one?
The IUPAC name of 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(2,4-difluorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;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;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(1-methylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;3-methyl-2-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]-6,7-dihydro-5H-1-benzofuran-4-one;2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one (CID 158323943) is 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(2,4-difluorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;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;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(1-methylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;3-methyl-2-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]-6,7-dihydro-5H-1-benzofuran-4-one;2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one.
What is the SMILES notation for 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(2,4-difluorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;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;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(1-methylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;3-methyl-2-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]-6,7-dihydro-5H-1-benzofuran-4-one;2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one?
The canonical SMILES for 3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(2,4-difluorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;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;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(1-methylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;3-methyl-2-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]-6,7-dihydro-5H-1-benzofuran-4-one;2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one is C=CCCOC(C)C(=O)CC1=NN=C(c2ccccn2)C1.CC(C)c1nc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cs1.CC(OCC(F)(F)F)C(=O)CC1=NN=C(c2ccccn2)C1.COc1ccccc1CC(=O)Nc1n[nH]c(-c2ccccn2)n1.C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)CC1=NN=C(c2ccccn2)C1.Cc1c(C(=O)CC2=NN=C(c3ccccn3)C2)oc2c1C(=O)CCC2.Cn1cc(C2CC2C(=O)Nc2n[nH]c(-c3ccccn3)n2)cn1.Cn1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1=O.O=C(COc1ccc(F)cc1F)Nc1n[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;2-(2,4-difluorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;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;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(1-methylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;3-methyl-2-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]-6,7-dihydro-5H-1-benzofuran-4-one;2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one?
The InChIKey is GPEHQRWZHGOHFQ-KLVOPEQVSA-N. The full InChI is InChI=1S/C19H17N3O3.C18H17FN4O3S.C16H15N5O2.C16H19N3O2.C15H11F2N5O2.C15H15N7O.C15H16N6OS.C14H14F3N3O2.C14H12N6O2/c1-11-18-15(23)6-4-7-17(18)25-19(11)16(24)10-12-9-14(22-21-12)13-5-2-3-8-20-13;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;1-23-13-8-3-2-6-11(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;16-9-4-5-12(10(17)7-9)24-8-13(23)19-15-20-14(21-22-15)11-3-1-2-6-18-11;1-22-8-9(7-17-22)10-6-11(10)14(23)19-15-18-13(20-21-15)12-4-2-3-5-16-12;1-9(2)14-17-10(8-23-14)7-12(22)18-15-19-13(20-21-15)11-5-3-4-6-16-11;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/h2-3,5,8H,4,6-7,9-10H2,1H3;2-9,12,23H,10-11H2,1H3;2-9H,10H2,1H3,(H2,18,19,20,21,22);3,5-8,12H,1,4,9-11H2,2H3;1-7H,8H2,(H2,19,20,21,22,23);2-5,7-8,10-11H,6H2,1H3,(H2,18,19,20,21,23);3-6,8-9H,7H2,1-2H3,(H2,18,19,20,21,22);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-(2,4-difluorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;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;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(1-methylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;3-methyl-2-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]-6,7-dihydro-5H-1-benzofuran-4-one;2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one?
3-but-3-enoxy-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(2,4-difluorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;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;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(1-methylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;3-methyl-2-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]-6,7-dihydro-5H-1-benzofuran-4-one;2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one has a molecular weight of 2897.05 g/mol, XLogP of 19.55, 47 rotatable bonds, 11 hydrogen bond donors, and 50 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-(2,4-difluorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;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;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;2-(1-methylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;3-methyl-2-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]-6,7-dihydro-5H-1-benzofuran-4-one;2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)butan-2-one is sourced from PubChem (CID 158323943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).