(2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

C155H155Cl2F9N12O28 — CID 163560426

IUPAC(2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1ccc(-n2cc(C(=O)NC34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)cc1F.Cc1ccc(OCC(=O)NC23CC(CC(=O)C4CC(O)c5ccc(C(F)(F)F)cc5O4)(C2)C3)cc1F.Cc1ccc(OCC(=O)NC23CC(CC(=O)[C@@H]4C[C@H](O)c5cc(F)c(C)cc5O4)(C2)C3)cc1F.Cc1ccc(OCC(=O)NC23CC(CC(=O)[C@H]4C[C@@H](O)c5cc(F)c(C)cc5O4)(C2)C3)cc1F.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(CC(=O)c4cnc(C5CNC5)o4)(C1)C3)O2.O=C(NC12CC(CC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)(C1)C2)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C27H25ClFN3O4.C26H24ClN3O4.C26H25F4NO5.2C26H27F2NO5.C24H27N3O5/c1-15-2-4-18(7-20(15)29)32-11-16(10-30-32)25(35)31-27-12-26(13-27,14-27)9-22(34)24-8-21(33)19-6-17(28)3-5-23(19)36-24;27-17-6-7-22-19(8-17)20(31)9-23(34-22)21(32)10-25-13-26(14-25,15-25)29-24(33)16-11-28-30(12-16)18-4-2-1-3-5-18;1-14-2-4-16(7-18(14)27)35-10-23(34)31-25-11-24(12-25,13-25)9-20(33)22-8-19(32)17-5-3-15(26(28,29)30)6-21(17)36-22;2*1-14-3-4-16(6-18(14)27)33-10-24(32)29-26-11-25(12-26,13-26)9-21(31)23-8-20(30)17-7-19(28)15(2)5-22(17)34-23;1-13-2-3-18-15(4-13)16(28)5-19(31-18)21(30)27-24-10-23(11-24,12-24)6-17(29)20-9-26-22(32-20)14-7-25-8-14/h2-7,10-11,21,24,33H,8-9,12-14H2,1H3,(H,31,35);1-8,11-12,20,23,31H,9-10,13-15H2,(H,29,33);2-7,19,22,32H,8-13H2,1H3,(H,31,34);2*3-7,20,23,30H,8-13H2,1-2H3,(H,29,32);2-4,9,14,16,19,25,28H,5-8,10-12H2,1H3,(H,27,30)/t21-,24-,26?,27?;20-,23-,25?,26?;;2*20-,23-,25?,26?;16-,19-,23?,24?/m11.101/s1
InChIKeyFQTWXACOZVQTSC-GMURLDTHSA-N
MW2875.89 g/mol
LogP22.76
Rot. Bonds39

About (2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

(2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 163560426) has the molecular formula C155H155Cl2F9N12O28 and a molecular weight of 2875.89 g/mol. Its IUPAC name is (2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name(2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID163560426
Molecular FormulaC155H155Cl2F9N12O28
Molecular Weight2875.89 g/mol
Exact Mass2873.03
IUPAC Name(2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1ccc(-n2cc(C(=O)NC34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)cc1F.Cc1ccc(OCC(=O)NC23CC(CC(=O)C4CC(O)c5ccc(C(F)(F)F)cc5O4)(C2)C3)cc1F.Cc1ccc(OCC(=O)NC23CC(CC(=O)[C@@H]4C[C@H](O)c5cc(F)c(C)cc5O4)(C2)C3)cc1F.Cc1ccc(OCC(=O)NC23CC(CC(=O)[C@H]4C[C@@H](O)c5cc(F)c(C)cc5O4)(C2)C3)cc1F.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(CC(=O)c4cnc(C5CNC5)o4)(C1)C3)O2.O=C(NC12CC(CC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)(C1)C2)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C27H25ClFN3O4.C26H24ClN3O4.C26H25F4NO5.2C26H27F2NO5.C24H27N3O5/c1-15-2-4-18(7-20(15)29)32-11-16(10-30-32)25(35)31-27-12-26(13-27,14-27)9-22(34)24-8-21(33)19-6-17(28)3-5-23(19)36-24;27-17-6-7-22-19(8-17)20(31)9-23(34-22)21(32)10-25-13-26(14-25,15-25)29-24(33)16-11-28-30(12-16)18-4-2-1-3-5-18;1-14-2-4-16(7-18(14)27)35-10-23(34)31-25-11-24(12-25,13-25)9-20(33)22-8-19(32)17-5-3-15(26(28,29)30)6-21(17)36-22;2*1-14-3-4-16(6-18(14)27)33-10-24(32)29-26-11-25(12-26,13-26)9-21(31)23-8-20(30)17-7-19(28)15(2)5-22(17)34-23;1-13-2-3-18-15(4-13)16(28)5-19(31-18)21(30)27-24-10-23(11-24,12-24)6-17(29)20-9-26-22(32-20)14-7-25-8-14/h2-7,10-11,21,24,33H,8-9,12-14H2,1H3,(H,31,35);1-8,11-12,20,23,31H,9-10,13-15H2,(H,29,33);2-7,19,22,32H,8-13H2,1H3,(H,31,34);2*3-7,20,23,30H,8-13H2,1-2H3,(H,29,32);2-4,9,14,16,19,25,28H,5-8,10-12H2,1H3,(H,27,30)/t21-,24-,26?,27?;20-,23-,25?,26?;;2*20-,23-,25?,26?;16-,19-,23?,24?/m11.101/s1
InChIKeyFQTWXACOZVQTSC-GMURLDTHSA-N
XLogP22.76
TPSA555.17 Ų
H-Bond Donors13
H-Bond Acceptors34
Rotatable Bonds39
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002875.89
LogP ≤ 522.76
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1034

Analyze (2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(4-methylphenyl)pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]cyclohexyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 158143206
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
6-chloro-N-[3-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-3,4-dihydrochromene-2-carboxamide;N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[(3S)-4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-cyclobutyl-N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[2-oxo-2-[2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazol-5-yl]ethyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 163841188
1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-(4-cyclobutylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-(3-phenylazetidine-1-carbonyl)cyclohexyl]ethanone;(2R,4R)-6-chloro-4-hydroxy-N-[(3R,6S)-6-[5-(3-methylcyclobutyl)-1,3-oxazol-2-yl]oxan-3-yl]-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-4-hydroxy-N-[3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 161885979

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of (2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 163560426) is (2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for (2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for (2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is Cc1ccc(-n2cc(C(=O)NC34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)cc1F.Cc1ccc(OCC(=O)NC23CC(CC(=O)C4CC(O)c5ccc(C(F)(F)F)cc5O4)(C2)C3)cc1F.Cc1ccc(OCC(=O)NC23CC(CC(=O)[C@@H]4C[C@H](O)c5cc(F)c(C)cc5O4)(C2)C3)cc1F.Cc1ccc(OCC(=O)NC23CC(CC(=O)[C@H]4C[C@@H](O)c5cc(F)c(C)cc5O4)(C2)C3)cc1F.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(CC(=O)c4cnc(C5CNC5)o4)(C1)C3)O2.O=C(NC12CC(CC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)(C1)C2)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is FQTWXACOZVQTSC-GMURLDTHSA-N. The full InChI is InChI=1S/C27H25ClFN3O4.C26H24ClN3O4.C26H25F4NO5.2C26H27F2NO5.C24H27N3O5/c1-15-2-4-18(7-20(15)29)32-11-16(10-30-32)25(35)31-27-12-26(13-27,14-27)9-22(34)24-8-21(33)19-6-17(28)3-5-23(19)36-24;27-17-6-7-22-19(8-17)20(31)9-23(34-22)21(32)10-25-13-26(14-25,15-25)29-24(33)16-11-28-30(12-16)18-4-2-1-3-5-18;1-14-2-4-16(7-18(14)27)35-10-23(34)31-25-11-24(12-25,13-25)9-20(33)22-8-19(32)17-5-3-15(26(28,29)30)6-21(17)36-22;2*1-14-3-4-16(6-18(14)27)33-10-24(32)29-26-11-25(12-26,13-26)9-21(31)23-8-20(30)17-7-19(28)15(2)5-22(17)34-23;1-13-2-3-18-15(4-13)16(28)5-19(31-18)21(30)27-24-10-23(11-24,12-24)6-17(29)20-9-26-22(32-20)14-7-25-8-14/h2-7,10-11,21,24,33H,8-9,12-14H2,1H3,(H,31,35);1-8,11-12,20,23,31H,9-10,13-15H2,(H,29,33);2-7,19,22,32H,8-13H2,1H3,(H,31,34);2*3-7,20,23,30H,8-13H2,1-2H3,(H,29,32);2-4,9,14,16,19,25,28H,5-8,10-12H2,1H3,(H,27,30)/t21-,24-,26?,27?;20-,23-,25?,26?;;2*20-,23-,25?,26?;16-,19-,23?,24?/m11.101/s1.
What are the key properties of (2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
(2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 2875.89 g/mol, XLogP of 22.76, 39 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[3-[2-[2-(azetidin-3-yl)-1,3-oxazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-(3-fluoro-4-methylphenyl)pyrazole-4-carboxamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-1-phenylpyrazole-4-carboxamide;N-[3-[2-[(2S,4S)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R,4R)-6-fluoro-4-hydroxy-7-methyl-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-[4-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 163560426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).