About (2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-2,5-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone
(2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-2,5-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone (PubChem CID 160501797) has the molecular formula C153H143Cl6F5N16O24
and a molecular weight of 2897.62 g/mol. Its IUPAC name is (2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-2,5-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone.
Frequently Asked Questions
What is the IUPAC name of (2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-2,5-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone?
The IUPAC name of (2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-2,5-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone (CID 160501797) is (2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-2,5-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone.
What is the SMILES notation for (2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-2,5-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone?
The canonical SMILES for (2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-2,5-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone is CC(F)(F)c1ccc(-n2cc(C34CC(CC(=O)[C@@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)cn1.Cc1ccc(-n2cc(C34CC(CC(=O)[C@@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)cc1.Cc1ccc(-n2cc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)cc1.Cc1ccc2c(c1)C(=O)C[C@H](C(=O)NC13CC(c4nc(COc5ccc(Cl)c(F)c5)no4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(C4N=C(COc5ccc(Cl)c(F)c5)NO4)(C1)C3)O2.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(c4nc(COc5ccc(Cl)c(F)c5)no4)(C1)C3)O2.
What is the InChIKey of (2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-2,5-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone?
The InChIKey is QRWMYCAAMRMIDK-DNHXZVFESA-N. The full InChI is InChI=1S/C26H24ClF2N3O3.2C26H25ClN2O3.C25H25ClFN3O5.C25H23ClFN3O5.C25H21ClFN3O5/c1-24(28,29)23-5-3-17(10-30-23)32-11-15(9-31-32)26-12-25(13-26,14-26)8-20(34)22-7-19(33)18-6-16(27)2-4-21(18)35-22;2*1-16-2-5-19(6-3-16)29-12-17(11-28-29)26-13-25(14-26,15-26)10-22(31)24-9-21(30)20-8-18(27)4-7-23(20)32-24;3*1-13-2-5-19-15(6-13)18(31)8-20(34-19)22(32)29-25-10-24(11-25,12-25)23-28-21(30-35-23)9-33-14-3-4-16(26)17(27)7-14/h2-6,9-11,19,22,33H,7-8,12-14H2,1H3;2*2-8,11-12,21,24,30H,9-10,13-15H2,1H3;2-7,18,20,23,31H,8-12H2,1H3,(H,28,30)(H,29,32);2-7,18,20,31H,8-12H2,1H3,(H,29,32);2-7,20H,8-12H2,1H3,(H,29,32)/t19-,22+,25?,26?;21-,24+,25?,26?;21-,24-,25?,26?;18-,20-,23?,24?,25?;18-,20-,24?,25?;20-,24?,25?/m111111/s1.
What are the key properties of (2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-2,5-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone?
(2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-2,5-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone has a molecular weight of 2897.62 g/mol, XLogP of 26.85, 34 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-2,5-dihydro-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;(2R)-N-[3-[3-[(4-chloro-3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-(4-methylphenyl)pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone is sourced from PubChem (CID 160501797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).