About 1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-2-oxabicyclo[2.2.2]octan-1-yl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]ethanone;(2R,4R)-N-[3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[(1R,2S,4R,5S)-5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide
1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-2-oxabicyclo[2.2.2]octan-1-yl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]ethanone;(2R,4R)-N-[3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[(1R,2S,4R,5S)-5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 159765283) has the molecular formula C129H138Cl3F13N10O24
and a molecular weight of 2565.90 g/mol. Its IUPAC name is 1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-2-oxabicyclo[2.2.2]octan-1-yl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]ethanone;(2R,4R)-N-[3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[(1R,2S,4R,5S)-5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-2-oxabicyclo[2.2.2]octan-1-yl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]ethanone;(2R,4R)-N-[3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[(1R,2S,4R,5S)-5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-2-oxabicyclo[2.2.2]octan-1-yl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]ethanone;(2R,4R)-N-[3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[(1R,2S,4R,5S)-5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 159765283) is 1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-2-oxabicyclo[2.2.2]octan-1-yl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]ethanone;(2R,4R)-N-[3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[(1R,2S,4R,5S)-5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-2-oxabicyclo[2.2.2]octan-1-yl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]ethanone;(2R,4R)-N-[3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[(1R,2S,4R,5S)-5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-2-oxabicyclo[2.2.2]octan-1-yl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]ethanone;(2R,4R)-N-[3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[(1R,2S,4R,5S)-5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide is CC(F)(F)OC1CC(CC(=O)C23CCC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(CC2)CO3)C1.CC(F)(F)OC1CC(c2ccn(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)n2)C1.CC(F)(F)OC1CC(c2nnc(C34CCC(CC(=O)[C@@H]5C[C@H](O)c6cc(Cl)ccc6O5)(CC3)CC4)o2)C1.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(n4cc(-c5ccc(OC(F)(F)F)c(F)c5)cn4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)N[C@H]1C[C@H]3O[C@@H]1C[C@@H]3C(=O)NCc1ccc(C(F)(F)F)cn1)O2.
What is the InChIKey of 1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-2-oxabicyclo[2.2.2]octan-1-yl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]ethanone;(2R,4R)-N-[3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[(1R,2S,4R,5S)-5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is NFKMLSSOIBQGLK-ZMPWVWTMSA-N. The full InChI is InChI=1S/C27H31ClF2N2O5.C26H31ClF2O6.C26H23F4N3O4.C25H27ClF2N2O4.C25H26F3N3O5/c1-25(29,30)37-17-10-15(11-17)23-31-32-24(36-23)27-7-4-26(5-8-27,6-9-27)14-20(34)22-13-19(33)18-12-16(28)2-3-21(18)35-22;1-24(28,29)35-17-8-15(9-17)10-23(32)26-6-4-25(5-7-26,14-33-26)13-20(31)22-12-19(30)18-11-16(27)2-3-21(18)34-22;1-14-2-4-20-17(6-14)19(34)8-22(36-20)23(35)32-24-11-25(12-24,13-24)33-10-16(9-31-33)15-3-5-21(18(27)7-15)37-26(28,29)30;1-23(27,28)34-16-6-14(7-16)18-4-5-30(29-18)25-11-24(12-25,13-25)10-20(32)22-9-19(31)17-8-15(26)2-3-21(17)33-22;1-12-2-5-19-15(6-12)18(32)9-22(35-19)24(34)31-17-8-20-16(7-21(17)36-20)23(33)30-11-14-4-3-13(10-29-14)25(26,27)28/h2-3,12,15,17,19,22,33H,4-11,13-14H2,1H3;2-3,11,15,17,19,22,30H,4-10,12-14H2,1H3;2-7,9-10,19,22,34H,8,11-13H2,1H3,(H,32,35);2-5,8,14,16,19,22,31H,6-7,9-13H2,1H3;2-6,10,16-18,20-22,32H,7-9,11H2,1H3,(H,30,33)(H,31,34)/t15?,17?,19-,22-,26?,27?;15?,17?,19-,22-,25?,26?;19-,22-,24?,25?;14?,16?,19-,22-,24?,25?;16-,17-,18+,20+,21+,22+/m01110/s1.
What are the key properties of 1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-2-oxabicyclo[2.2.2]octan-1-yl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]ethanone;(2R,4R)-N-[3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[(1R,2S,4R,5S)-5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide?
1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-2-oxabicyclo[2.2.2]octan-1-yl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]ethanone;(2R,4R)-N-[3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[(1R,2S,4R,5S)-5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 2565.90 g/mol, XLogP of 23.45, 32 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-2-oxabicyclo[2.2.2]octan-1-yl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]ethanone;(2R,4R)-N-[3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[(1R,2S,4R,5S)-5-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 159765283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).