(2R,4R)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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

C125H141Cl5F9N9O24 — CID 160642955

IUPAC(2R,4R)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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
SMILESCC(F)(F)OC1CC(CC(=O)C23CCC(CC(=O)[C@@H]4C[C@H](O)c5cc(Cl)ccc5O4)(CC2)CO3)C1.CC(F)(F)OC1CC(OCC(=O)NC23CC(CC(=O)[C@@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)C1.CC(F)(F)OC1CC(n2cc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)C1.CC(F)(F)OC1CC(n2cc(C34CC(NC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)nn2)C1.Cc1ccc(N2CCN(C3CCC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)CC3)C2=O)cc1F
InChIInChI=1S/C27H30ClFN2O4.C26H31ClF2O6.C25H27ClF2N2O4.C24H28ClF2NO6.C23H25ClF2N4O4/c1-16-2-6-20(14-22(16)29)31-11-10-30(27(31)34)19-7-3-17(4-8-19)12-24(33)26-15-23(32)21-13-18(28)5-9-25(21)35-26;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;1-23(27,28)34-17-5-16(6-17)30-10-14(9-29-30)25-11-24(12-25,13-25)8-20(32)22-7-19(31)18-4-15(26)2-3-21(18)33-22;1-22(26,27)34-15-5-14(6-15)32-9-21(31)28-24-10-23(11-24,12-24)8-18(30)20-7-17(29)16-4-13(25)2-3-19(16)33-20;1-21(25,26)34-14-5-13(6-14)30-8-19(28-29-30)22-9-23(10-22,11-22)27-20(32)18-7-16(31)15-4-12(24)2-3-17(15)33-18/h2,5-6,9,13-14,17,19,23,26,32H,3-4,7-8,10-12,15H2,1H3;2-3,11,15,17,19,22,30H,4-10,12-14H2,1H3;2-4,9-10,16-17,19,22,31H,5-8,11-13H2,1H3;2-4,14-15,17,20,29H,5-12H2,1H3,(H,28,31);2-4,8,13-14,16,18,31H,5-7,9-11H2,1H3,(H,27,32)/t17?,19?,23-,26-;15?,17?,19-,22-,25?,26?;16?,17?,19-,22-,24?,25?;14?,15?,17-,20+,23?,24?;13?,14?,16-,18-,22?,23?/m10111/s1
InChIKeyRJKNRUQMFYKVJP-AUWHIMLUSA-N
MW2501.79 g/mol
LogP22.89
Rot. Bonds35

About (2R,4R)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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 (PubChem CID 160642955) has the molecular formula C125H141Cl5F9N9O24 and a molecular weight of 2501.79 g/mol. Its IUPAC name is (2R,4R)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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.

Molecular Properties

Compound Name(2R,4R)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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
PubChem CID160642955
Molecular FormulaC125H141Cl5F9N9O24
Molecular Weight2501.79 g/mol
Exact Mass2497.84
IUPAC Name(2R,4R)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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
SMILESCC(F)(F)OC1CC(CC(=O)C23CCC(CC(=O)[C@@H]4C[C@H](O)c5cc(Cl)ccc5O4)(CC2)CO3)C1.CC(F)(F)OC1CC(OCC(=O)NC23CC(CC(=O)[C@@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)C1.CC(F)(F)OC1CC(n2cc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)C1.CC(F)(F)OC1CC(n2cc(C34CC(NC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)nn2)C1.Cc1ccc(N2CCN(C3CCC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)CC3)C2=O)cc1F
InChIInChI=1S/C27H30ClFN2O4.C26H31ClF2O6.C25H27ClF2N2O4.C24H28ClF2NO6.C23H25ClF2N4O4/c1-16-2-6-20(14-22(16)29)31-11-10-30(27(31)34)19-7-3-17(4-8-19)12-24(33)26-15-23(32)21-13-18(28)5-9-25(21)35-26;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;1-23(27,28)34-17-5-16(6-17)30-10-14(9-29-30)25-11-24(12-25,13-25)8-20(32)22-7-19(31)18-4-15(26)2-3-21(18)33-22;1-22(26,27)34-15-5-14(6-15)32-9-21(31)28-24-10-23(11-24,12-24)8-18(30)20-7-17(29)16-4-13(25)2-3-19(16)33-20;1-21(25,26)34-14-5-13(6-14)30-8-19(28-29-30)22-9-23(10-22,11-22)27-20(32)18-7-16(31)15-4-12(24)2-3-17(15)33-18/h2,5-6,9,13-14,17,19,23,26,32H,3-4,7-8,10-12,15H2,1H3;2-3,11,15,17,19,22,30H,4-10,12-14H2,1H3;2-4,9-10,16-17,19,22,31H,5-8,11-13H2,1H3;2-4,14-15,17,20,29H,5-12H2,1H3,(H,28,31);2-4,8,13-14,16,18,31H,5-7,9-11H2,1H3,(H,27,32)/t17?,19?,23-,26-;15?,17?,19-,22-,25?,26?;16?,17?,19-,22-,24?,25?;14?,15?,17-,20+,23?,24?;13?,14?,16-,18-,22?,23?/m10111/s1
InChIKeyRJKNRUQMFYKVJP-AUWHIMLUSA-N
XLogP22.89
TPSA418.31 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds35
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002501.79
LogP ≤ 522.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze (2R,4R)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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 with MolForge

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Related Compounds

(2R,4R)-6-chloro-N-[3-[4-(4-fluoro-3-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,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-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]-3H-pyrrol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone
CID 158986200
1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[4-(1,1-difluoroethoxy)-3-fluorophenyl]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-(4-methylphenyl)pyrrolidin-2-one;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-[3-(1,1-difluoroethoxy)cyclobutyl]imidazolidin-2-one;1-[4-[2-[(2R,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-[5-(1,1-difluoroethyl)-2-pyridinyl]propan-1-one
CID 159439783
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
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
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)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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?
The IUPAC name of (2R,4R)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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 (CID 160642955) is (2R,4R)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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.
What is the SMILES notation for (2R,4R)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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?
The canonical SMILES for (2R,4R)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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 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(OCC(=O)NC23CC(CC(=O)[C@@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)C1.CC(F)(F)OC1CC(n2cc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)cn2)C1.CC(F)(F)OC1CC(n2cc(C34CC(NC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)nn2)C1.Cc1ccc(N2CCN(C3CCC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)CC3)C2=O)cc1F.
What is the InChIKey of (2R,4R)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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?
The InChIKey is RJKNRUQMFYKVJP-AUWHIMLUSA-N. The full InChI is InChI=1S/C27H30ClFN2O4.C26H31ClF2O6.C25H27ClF2N2O4.C24H28ClF2NO6.C23H25ClF2N4O4/c1-16-2-6-20(14-22(16)29)31-11-10-30(27(31)34)19-7-3-17(4-8-19)12-24(33)26-15-23(32)21-13-18(28)5-9-25(21)35-26;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;1-23(27,28)34-17-5-16(6-17)30-10-14(9-29-30)25-11-24(12-25,13-25)8-20(32)22-7-19(31)18-4-15(26)2-3-21(18)33-22;1-22(26,27)34-15-5-14(6-15)32-9-21(31)28-24-10-23(11-24,12-24)8-18(30)20-7-17(29)16-4-13(25)2-3-19(16)33-20;1-21(25,26)34-14-5-13(6-14)30-8-19(28-29-30)22-9-23(10-22,11-22)27-20(32)18-7-16(31)15-4-12(24)2-3-17(15)33-18/h2,5-6,9,13-14,17,19,23,26,32H,3-4,7-8,10-12,15H2,1H3;2-3,11,15,17,19,22,30H,4-10,12-14H2,1H3;2-4,9-10,16-17,19,22,31H,5-8,11-13H2,1H3;2-4,14-15,17,20,29H,5-12H2,1H3,(H,28,31);2-4,8,13-14,16,18,31H,5-7,9-11H2,1H3,(H,27,32)/t17?,19?,23-,26-;15?,17?,19-,22-,25?,26?;16?,17?,19-,22-,24?,25?;14?,15?,17-,20+,23?,24?;13?,14?,16-,18-,22?,23?/m10111/s1.
What are the key properties of (2R,4R)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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 has a molecular weight of 2501.79 g/mol, XLogP of 22.89, 35 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-6-chloro-N-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[1-[3-(1,1-difluoroethoxy)cyclobutyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;1-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]cyclohexyl]-3-(3-fluoro-4-methylphenyl)imidazolidin-2-one;1-[4-[2-[(2S,4S)-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 is sourced from PubChem (CID 160642955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).