About tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-4-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(2,5-difluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-[[5-(3-fluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide);2-hydroxy-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(2-methyl-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide
tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-4-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(2,5-difluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-[[5-(3-fluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide);2-hydroxy-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(2-methyl-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide (PubChem CID 157249539) has the molecular formula C160H150ClF4N39O14S9
and a molecular weight of 3243.27 g/mol. Its IUPAC name is tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-4-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(2,5-difluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-[[5-(3-fluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide);2-hydroxy-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(2-methyl-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-4-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(2,5-difluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-[[5-(3-fluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide);2-hydroxy-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(2-methyl-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide?
The IUPAC name of tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-4-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(2,5-difluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-[[5-(3-fluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide);2-hydroxy-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(2-methyl-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide (CID 157249539) is tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-4-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(2,5-difluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-[[5-(3-fluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide);2-hydroxy-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(2-methyl-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide.
What is the SMILES notation for tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-4-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(2,5-difluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-[[5-(3-fluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide);2-hydroxy-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(2-methyl-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide?
The canonical SMILES for tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-4-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(2,5-difluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-[[5-(3-fluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide);2-hydroxy-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(2-methyl-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide is C=CCC(SC1=NN=C(c2ccncc2)C1)C(=O)Nc1ccccc1.CC(Sc1nnc(-c2ccncc2)n1C(=O)OC(C)(C)C)C(=O)N(C(=O)OC(C)(C)C)c1ccccc1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1.CN(C(=O)C(Cl)Sc1nnc(-c2ccncc2)n1C)c1ccccc1.Cc1cc(C2=NN=C(SCC(=O)Nc3ccccc3)C2)ccn1.O=C(CSC1=NN=C(c2cc(F)ncc2F)C1)Nc1ccccc1.O=C(CSC1=NN=C(c2ccncc2F)C1)Nc1ccccc1.O=C(CSC1=NN=C(c2ccncc2F)C1)Nc1ccccc1.O=C(Nc1ccccc1)C(O)SC1=NN=C(c2ccncc2)C1.
What is the InChIKey of tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-4-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(2,5-difluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-[[5-(3-fluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide);2-hydroxy-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(2-methyl-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide?
The InChIKey is AWEINOJBMLDRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O5S.C19H18N4OS.C17H16ClN5OS.C17H17N5OS.C17H16N4OS.C16H12F2N4OS.2C16H13FN4OS.C16H14N4O2S/c1-17(21(32)30(19-11-9-8-10-12-19)23(33)35-25(2,3)4)37-22-29-28-20(18-13-15-27-16-14-18)31(22)24(34)36-26(5,6)7;1-2-6-17(19(24)21-15-7-4-3-5-8-15)25-18-13-16(22-23-18)14-9-11-20-12-10-14;1-22(13-6-4-3-5-7-13)16(24)14(18)25-17-21-20-15(23(17)2)12-8-10-19-11-9-12;1-2-22-16(13-8-10-18-11-9-13)20-21-17(22)24-12-15(23)19-14-6-4-3-5-7-14;1-12-9-13(7-8-18-12)15-10-17(21-20-15)23-11-16(22)19-14-5-3-2-4-6-14;17-12-8-19-14(18)6-11(12)13-7-16(22-21-13)24-9-15(23)20-10-4-2-1-3-5-10;2*17-13-9-18-7-6-12(13)14-8-16(21-20-14)23-10-15(22)19-11-4-2-1-3-5-11;21-15(18-12-4-2-1-3-5-12)16(22)23-14-10-13(19-20-14)11-6-8-17-9-7-11/h8-17H,1-7H3;2-5,7-12,17H,1,6,13H2,(H,21,24);3-11,14H,1-2H3;3-11H,2,12H2,1H3,(H,19,23);2-9H,10-11H2,1H3,(H,19,22);1-6,8H,7,9H2,(H,20,23);2*1-7,9H,8,10H2,(H,19,22);1-9,16,22H,10H2,(H,18,21).
What are the key properties of tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-4-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(2,5-difluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-[[5-(3-fluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide);2-hydroxy-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(2-methyl-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide?
tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-4-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(2,5-difluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-[[5-(3-fluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide);2-hydroxy-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(2-methyl-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide has a molecular weight of 3243.27 g/mol, XLogP of 30.75, 42 rotatable bonds, 8 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-4-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(2,5-difluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;bis(2-[[5-(3-fluoro-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide);2-hydroxy-N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(2-methyl-4-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-4-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide is sourced from PubChem (CID 157249539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).