2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide

C141H154Cl4F10N10O26 — CID 159527594

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCC(F)(F)OC1CC(c2noc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)n2)C1.CC1CC(C2CC(C34CC(CC(=O)[C@@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)=NO2)C1.CC1CC(C2CC(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)=NO2)C1.Cc1ccc(OC2CN(C(=O)[C@@H]3CC[C@@H](NC(=O)COc4ccc(Cl)c(F)c4)CO3)C2)cc1.Cc1ccc(OCC(=O)NC23CC(CC(=O)C4CC(OC(F)(F)F)C4)(C2)C3)cc1F.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(C(=O)NCc4ccc(C(F)(F)F)cn4)(C1)C3)O2
InChIInChI=1S/C24H25ClF2N2O5.C24H26ClFN2O5.2C24H28ClNO4.C24H24F3N3O4.C21H23F4NO4/c1-22(26,27)33-14-4-12(5-14)20-28-21(34-29-20)24-9-23(10-24,11-24)8-17(31)19-7-16(30)15-6-13(25)2-3-18(15)32-19;1-15-2-5-17(6-3-15)33-19-11-28(12-19)24(30)22-9-4-16(13-32-22)27-23(29)14-31-18-7-8-20(25)21(26)10-18;2*1-13-4-14(5-13)20-8-22(26-30-20)24-10-23(11-24,12-24)9-18(28)21-7-17(27)16-6-15(25)2-3-19(16)29-21;1-13-2-5-18-16(6-13)17(31)7-19(34-18)20(32)30-23-10-22(11-23,12-23)21(33)29-9-15-4-3-14(8-28-15)24(25,26)27;1-12-2-3-14(6-16(12)22)29-8-18(28)26-20-9-19(10-20,11-20)7-17(27)13-4-15(5-13)30-21(23,24)25/h2-3,6,12,14,16,19,30H,4-5,7-11H2,1H3;2-3,5-8,10,16,19,22H,4,9,11-14H2,1H3,(H,27,29);2*2-3,6,13-14,17,20-21,27H,4-5,7-12H2,1H3;2-6,8,17,19,31H,7,9-12H2,1H3,(H,29,33)(H,30,32);2-3,6,13,15H,4-5,7-11H2,1H3,(H,26,28)/t12?,14?,16-,19-,23?,24?;16-,22+;13?,14?,17-,20?,21+,23?,24?;13?,14?,17-,20?,21-,23?,24?;17-,19-,22?,23?;/m11111./s1
InChIKeyMCORMRBZBPFBSG-AMCXAERJSA-N
MW2736.62 g/mol
LogP24.45
Rot. Bonds37

About 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide

2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 159527594) has the molecular formula C141H154Cl4F10N10O26 and a molecular weight of 2736.62 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID159527594
Molecular FormulaC141H154Cl4F10N10O26
Molecular Weight2736.62 g/mol
Exact Mass2732.96
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCC(F)(F)OC1CC(c2noc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)n2)C1.CC1CC(C2CC(C34CC(CC(=O)[C@@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)=NO2)C1.CC1CC(C2CC(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)=NO2)C1.Cc1ccc(OC2CN(C(=O)[C@@H]3CC[C@@H](NC(=O)COc4ccc(Cl)c(F)c4)CO3)C2)cc1.Cc1ccc(OCC(=O)NC23CC(CC(=O)C4CC(OC(F)(F)F)C4)(C2)C3)cc1F.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(C(=O)NCc4ccc(C(F)(F)F)cn4)(C1)C3)O2
InChIInChI=1S/C24H25ClF2N2O5.C24H26ClFN2O5.2C24H28ClNO4.C24H24F3N3O4.C21H23F4NO4/c1-22(26,27)33-14-4-12(5-14)20-28-21(34-29-20)24-9-23(10-24,11-24)8-17(31)19-7-16(30)15-6-13(25)2-3-18(15)32-19;1-15-2-5-17(6-3-15)33-19-11-28(12-19)24(30)22-9-4-16(13-32-22)27-23(29)14-31-18-7-8-20(25)21(26)10-18;2*1-13-4-14(5-13)20-8-22(26-30-20)24-10-23(11-24,12-24)9-18(28)21-7-17(27)16-6-15(25)2-3-19(16)29-21;1-13-2-5-18-16(6-13)17(31)7-19(34-18)20(32)30-23-10-22(11-23,12-23)21(33)29-9-15-4-3-14(8-28-15)24(25,26)27;1-12-2-3-14(6-16(12)22)29-8-18(28)26-20-9-19(10-20,11-20)7-17(27)13-4-15(5-13)30-21(23,24)25/h2-3,6,12,14,16,19,30H,4-5,7-11H2,1H3;2-3,5-8,10,16,19,22H,4,9,11-14H2,1H3,(H,27,29);2*2-3,6,13-14,17,20-21,27H,4-5,7-12H2,1H3;2-6,8,17,19,31H,7,9-12H2,1H3,(H,29,33)(H,30,32);2-3,6,13,15H,4-5,7-11H2,1H3,(H,26,28)/t12?,14?,16-,19-,23?,24?;16-,22+;13?,14?,17-,20?,21+,23?,24?;13?,14?,17-,20?,21-,23?,24?;17-,19-,22?,23?;/m11111./s1
InChIKeyMCORMRBZBPFBSG-AMCXAERJSA-N
XLogP24.45
TPSA473.20 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds37
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002736.62
LogP ≤ 524.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-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-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2-oxazol-3-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-(4-methylphenyl)azetidine-1-carbonyl]cyclohexyl]ethanone
CID 158912835
(2R)-6-chloro-2-[2-[3-[2-[3-(1,1-difluoroethoxy)cyclobutyl]acetyl]-1-bicyclo[1.1.1]pentanyl]acetyl]-2,3-dihydrochromen-4-one;(2R)-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-[3-(1,1-difluoroethoxy)cyclobutyl]acetyl]cyclohexyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;(2R,4R)-4-hydroxy-6-methyl-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[2.2.2]octanyl]-3,4-dihydro-2H-chromene-2-carboxamide;(2R)-6-methyl-4-oxo-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[2.2.2]octanyl]-2,3-dihydrochromene-2-carboxamide
CID 160287408
1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[6-(1,1-difluoroethyl)-3-pyridinyl]imidazol-1-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)-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;(2S,4S)-6-chloro-4-hydroxy-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-4-hydroxy-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]-3,4-dihydro-2H-chromene-2-carboxamide;(2S,4S)-4-hydroxy-6-methyl-N-[(3R,6S)-6-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-4-hydroxy-6-methyl-N-[(3R,6S)-6-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 160410483
1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[4-(1,1-difluoroethoxy)phenyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-3-[5-(1,1-difluoroethyl)-2-pyridinyl]propan-1-one;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-[5-(1-fluoroethyl)pyrazin-2-yl]imidazolidin-2-one;2-[3-(1,1-difluoroethoxy)cyclobutyl]oxy-N-[4-[2-[(2R,4R)-6,7-difluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]acetamide
CID 160908509

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 159527594) is 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide is CC(F)(F)OC1CC(c2noc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)n2)C1.CC1CC(C2CC(C34CC(CC(=O)[C@@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)=NO2)C1.CC1CC(C2CC(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)=NO2)C1.Cc1ccc(OC2CN(C(=O)[C@@H]3CC[C@@H](NC(=O)COc4ccc(Cl)c(F)c4)CO3)C2)cc1.Cc1ccc(OCC(=O)NC23CC(CC(=O)C4CC(OC(F)(F)F)C4)(C2)C3)cc1F.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(C(=O)NCc4ccc(C(F)(F)F)cn4)(C1)C3)O2.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is MCORMRBZBPFBSG-AMCXAERJSA-N. The full InChI is InChI=1S/C24H25ClF2N2O5.C24H26ClFN2O5.2C24H28ClNO4.C24H24F3N3O4.C21H23F4NO4/c1-22(26,27)33-14-4-12(5-14)20-28-21(34-29-20)24-9-23(10-24,11-24)8-17(31)19-7-16(30)15-6-13(25)2-3-18(15)32-19;1-15-2-5-17(6-3-15)33-19-11-28(12-19)24(30)22-9-4-16(13-32-22)27-23(29)14-31-18-7-8-20(25)21(26)10-18;2*1-13-4-14(5-13)20-8-22(26-30-20)24-10-23(11-24,12-24)9-18(28)21-7-17(27)16-6-15(25)2-3-19(16)29-21;1-13-2-5-18-16(6-13)17(31)7-19(34-18)20(32)30-23-10-22(11-23,12-23)21(33)29-9-15-4-3-14(8-28-15)24(25,26)27;1-12-2-3-14(6-16(12)22)29-8-18(28)26-20-9-19(10-20,11-20)7-17(27)13-4-15(5-13)30-21(23,24)25/h2-3,6,12,14,16,19,30H,4-5,7-11H2,1H3;2-3,5-8,10,16,19,22H,4,9,11-14H2,1H3,(H,27,29);2*2-3,6,13-14,17,20-21,27H,4-5,7-12H2,1H3;2-6,8,17,19,31H,7,9-12H2,1H3,(H,29,33)(H,30,32);2-3,6,13,15H,4-5,7-11H2,1H3,(H,26,28)/t12?,14?,16-,19-,23?,24?;16-,22+;13?,14?,17-,20?,21+,23?,24?;13?,14?,17-,20?,21-,23?,24?;17-,19-,22?,23?;/m11111./s1.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 2736.62 g/mol, XLogP of 24.45, 37 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[(3R,6S)-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]oxan-3-yl]acetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[3-[3-(1,1-difluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-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-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-(3-methylcyclobutyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;2-(3-fluoro-4-methylphenoxy)-N-[3-[2-oxo-2-[3-(trifluoromethoxy)cyclobutyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;(2R,4R)-4-hydroxy-6-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 159527594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).