About N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[(3R,6S)-6-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]oxan-3-yl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;(2R,4R)-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[(3R,6S)-6-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]oxan-3-yl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;(2R,4R)-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 158966152) has the molecular formula C157H155Cl5F6N12O28
and a molecular weight of 2949.28 g/mol. Its IUPAC name is N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[(3R,6S)-6-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]oxan-3-yl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;(2R,4R)-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[(3R,6S)-6-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]oxan-3-yl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;(2R,4R)-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[(3R,6S)-6-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]oxan-3-yl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;(2R,4R)-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide (CID 158966152) is N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[(3R,6S)-6-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]oxan-3-yl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;(2R,4R)-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[(3R,6S)-6-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]oxan-3-yl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;(2R,4R)-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[(3R,6S)-6-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]oxan-3-yl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;(2R,4R)-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide is CC(F)(F)c1ccc(-c2cc(C34CC(CC(=O)[C@@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)on2)cn1.CC(F)(F)c1ccc(-c2cc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)on2)cn1.Cc1cc(C)cc(OCC2CN(C34CC(NC(=O)[C@H]5C[C@@H](O)c6cc(C)ccc6O5)(C3)C4)C(=O)O2)c1.Cc1ccc(-c2cc(C34CC(CC(=O)[C@@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)on2)cc1F.Cc1ccc2c(c1)C(=O)CC(C(=O)N[C@@H]1CC[C@@H](C(=O)NCc3cn4ccc(Cl)cc4n3)OC1)O2.Cc1ccc2c(c1)C(O)CC(C(=O)NC1CCC(CC(=O)COc3ccc(Cl)c(F)c3)CC1)O2.
What is the InChIKey of N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[(3R,6S)-6-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]oxan-3-yl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;(2R,4R)-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is JNFOXFGLGBMFNL-WXWPIBALSA-N. The full InChI is InChI=1S/C28H32N2O6.2C26H23ClF2N2O4.C26H29ClFNO5.C26H23ClFNO4.C25H25ClN4O5/c1-16-4-5-23-21(9-16)22(31)10-24(36-23)25(32)29-27-13-28(14-27,15-27)30-11-20(35-26(30)33)12-34-19-7-17(2)6-18(3)8-19;2*1-24(28,29)22-5-2-14(10-30-22)17-7-23(35-31-17)26-11-25(12-26,13-26)9-19(33)21-8-18(32)16-6-15(27)3-4-20(16)34-21;1-15-2-9-24-20(10-15)23(31)13-25(34-24)26(32)29-17-5-3-16(4-6-17)11-18(30)14-33-19-7-8-21(27)22(28)12-19;1-14-2-3-15(6-18(14)28)19-8-24(33-29-19)26-11-25(12-26,13-26)10-21(31)23-9-20(30)17-7-16(27)4-5-22(17)32-23;1-14-2-4-20-18(8-14)19(31)10-22(35-20)25(33)29-16-3-5-21(34-13-16)24(32)27-11-17-12-30-7-6-15(26)9-23(30)28-17/h4-9,20,22,24,31H,10-15H2,1-3H3,(H,29,32);2*2-7,10,18,21,32H,8-9,11-13H2,1H3;2,7-10,12,16-17,23,25,31H,3-6,11,13-14H2,1H3,(H,29,32);2-8,20,23,30H,9-13H2,1H3;2,4,6-9,12,16,21-22H,3,5,10-11,13H2,1H3,(H,27,32)(H,29,33)/t20?,22-,24-,27?,28?;18-,21+,25?,26?;18-,21-,25?,26?;;20-,23+,25?,26?;16-,21+,22?/m111.11/s1.
What are the key properties of N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[(3R,6S)-6-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]oxan-3-yl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;(2R,4R)-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[(3R,6S)-6-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]oxan-3-yl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;(2R,4R)-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 2949.28 g/mol, XLogP of 28.03, 35 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[(3R,6S)-6-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]oxan-3-yl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;(2R,4R)-N-[3-[5-[(3,5-dimethylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 158966152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).