(2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide

C146H145Cl5F11N13O31 — CID 163687216

IUPAC(2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide
SMILESCC(F)(F)c1ccc(OCC(=O)NC23CC(NC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)cn1.CC(F)(F)c1ncc(OCC(=O)NC23CC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)cn1.COc1ncc(OCC(=O)NC23CC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)cn1.Cc1ccc(OCC(=O)C[C@@H]2C[C@@H]3O[C@H]2C[C@H]3NC(=O)[C@H]2C[C@@H](O)c3cc(Cl)ccc3O2)cc1F.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(NC(=O)c4ccc(OC(F)(F)F)cn4)(C1)C3)O2.O=C(CC12CCC(CC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)(C1)C2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H24ClF3O4.C26H27ClFNO6.2C24H24ClF2N3O5.C23H24ClN3O6.C23H22F3N3O5/c27-17-5-6-22-18(9-17)19(31)10-23(34-22)21(33)12-25-8-7-24(13-25,14-25)11-20(32)15-1-3-16(4-2-15)26(28,29)30;1-13-2-4-17(9-19(13)28)33-12-16(30)6-14-7-24-20(10-23(14)35-24)29-26(32)25-11-21(31)18-8-15(27)3-5-22(18)34-25;1-22(26,27)19-5-3-14(8-28-19)34-9-20(32)29-23-10-24(11-23,12-23)30-21(33)18-7-16(31)15-6-13(25)2-4-17(15)35-18;1-22(26,27)21-28-7-14(8-29-21)34-9-20(33)30-24-10-23(11-24,12-24)6-17(32)19-5-16(31)15-4-13(25)2-3-18(15)35-19;1-31-21-25-7-14(8-26-21)32-9-20(30)27-23-10-22(11-23,12-23)6-17(29)19-5-16(28)15-4-13(24)2-3-18(15)33-19;1-12-2-5-17-14(6-12)16(30)7-18(33-17)20(32)29-22-9-21(10-22,11-22)28-19(31)15-4-3-13(8-27-15)34-23(24,25)26/h1-6,9,19,23,31H,7-8,10-14H2;2-5,8-9,14,20-21,23-25,31H,6-7,10-12H2,1H3,(H,29,32);2-6,8,16,18,31H,7,9-12H2,1H3,(H,29,32)(H,30,33);2-4,7-8,16,19,31H,5-6,9-12H2,1H3,(H,30,33);2-4,7-8,16,19,28H,5-6,9-12H2,1H3,(H,27,30);2-6,8,16,18,30H,7,9-11H2,1H3,(H,28,31)(H,29,32)/t19-,23-,24?,25?;14-,20-,21-,23+,24+,25-;16-,18-,23?,24?;16-,19-,23?,24?;16-,19-,22?,23?;16-,18-,21?,22?/m111111/s1
InChIKeyJPWVTPRPRNGBAR-XNXYGZPOSA-N
MW2964.07 g/mol
LogP21.62
Rot. Bonds41

About (2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide

(2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide (PubChem CID 163687216) has the molecular formula C146H145Cl5F11N13O31 and a molecular weight of 2964.07 g/mol. Its IUPAC name is (2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide
PubChem CID163687216
Molecular FormulaC146H145Cl5F11N13O31
Molecular Weight2964.07 g/mol
Exact Mass2959.84
IUPAC Name(2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide
SMILESCC(F)(F)c1ccc(OCC(=O)NC23CC(NC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)cn1.CC(F)(F)c1ncc(OCC(=O)NC23CC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)cn1.COc1ncc(OCC(=O)NC23CC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)cn1.Cc1ccc(OCC(=O)C[C@@H]2C[C@@H]3O[C@H]2C[C@H]3NC(=O)[C@H]2C[C@@H](O)c3cc(Cl)ccc3O2)cc1F.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(NC(=O)c4ccc(OC(F)(F)F)cn4)(C1)C3)O2.O=C(CC12CCC(CC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)(C1)C2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H24ClF3O4.C26H27ClFNO6.2C24H24ClF2N3O5.C23H24ClN3O6.C23H22F3N3O5/c27-17-5-6-22-18(9-17)19(31)10-23(34-22)21(33)12-25-8-7-24(13-25,14-25)11-20(32)15-1-3-16(4-2-15)26(28,29)30;1-13-2-4-17(9-19(13)28)33-12-16(30)6-14-7-24-20(10-23(14)35-24)29-26(32)25-11-21(31)18-8-15(27)3-5-22(18)34-25;1-22(26,27)19-5-3-14(8-28-19)34-9-20(32)29-23-10-24(11-23,12-23)30-21(33)18-7-16(31)15-6-13(25)2-4-17(15)35-18;1-22(26,27)21-28-7-14(8-29-21)34-9-20(33)30-24-10-23(11-24,12-24)6-17(32)19-5-16(31)15-4-13(25)2-3-18(15)35-19;1-31-21-25-7-14(8-26-21)32-9-20(30)27-23-10-22(11-23,12-23)6-17(29)19-5-16(28)15-4-13(24)2-3-18(15)33-19;1-12-2-5-17-14(6-12)16(30)7-18(33-17)20(32)29-22-9-21(10-22,11-22)28-19(31)15-4-3-13(8-27-15)34-23(24,25)26/h1-6,9,19,23,31H,7-8,10-14H2;2-5,8-9,14,20-21,23-25,31H,6-7,10-12H2,1H3,(H,29,32);2-6,8,16,18,31H,7,9-12H2,1H3,(H,29,32)(H,30,33);2-4,7-8,16,19,31H,5-6,9-12H2,1H3,(H,30,33);2-4,7-8,16,19,28H,5-6,9-12H2,1H3,(H,27,30);2-6,8,16,18,30H,7,9-11H2,1H3,(H,28,31)(H,29,32)/t19-,23-,24?,25?;14-,20-,21-,23+,24+,25-;16-,18-,23?,24?;16-,19-,23?,24?;16-,19-,22?,23?;16-,18-,21?,22?/m111111/s1
InChIKeyJPWVTPRPRNGBAR-XNXYGZPOSA-N
XLogP21.62
TPSA607.76 Ų
H-Bond Donors13
H-Bond Acceptors37
Rotatable Bonds41
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002964.07
LogP ≤ 521.62
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1037

Analyze (2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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
(2S,4S)-6-chloro-N-[(1S,2R,4S,5R)-5-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;N-[(1S,2R,4S,5S)-5-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-2-bicyclo[2.2.1]heptanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetamide;N-[3-[2-[(2S)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide;N-[4-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 163843608

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide?
The IUPAC name of (2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide (CID 163687216) is (2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide.
What is the SMILES notation for (2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide?
The canonical SMILES for (2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide is CC(F)(F)c1ccc(OCC(=O)NC23CC(NC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)cn1.CC(F)(F)c1ncc(OCC(=O)NC23CC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)cn1.COc1ncc(OCC(=O)NC23CC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)cn1.Cc1ccc(OCC(=O)C[C@@H]2C[C@@H]3O[C@H]2C[C@H]3NC(=O)[C@H]2C[C@@H](O)c3cc(Cl)ccc3O2)cc1F.Cc1ccc2c(c1)[C@H](O)C[C@H](C(=O)NC13CC(NC(=O)c4ccc(OC(F)(F)F)cn4)(C1)C3)O2.O=C(CC12CCC(CC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)(C1)C2)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide?
The InChIKey is JPWVTPRPRNGBAR-XNXYGZPOSA-N. The full InChI is InChI=1S/C26H24ClF3O4.C26H27ClFNO6.2C24H24ClF2N3O5.C23H24ClN3O6.C23H22F3N3O5/c27-17-5-6-22-18(9-17)19(31)10-23(34-22)21(33)12-25-8-7-24(13-25,14-25)11-20(32)15-1-3-16(4-2-15)26(28,29)30;1-13-2-4-17(9-19(13)28)33-12-16(30)6-14-7-24-20(10-23(14)35-24)29-26(32)25-11-21(31)18-8-15(27)3-5-22(18)34-25;1-22(26,27)19-5-3-14(8-28-19)34-9-20(32)29-23-10-24(11-23,12-23)30-21(33)18-7-16(31)15-6-13(25)2-4-17(15)35-18;1-22(26,27)21-28-7-14(8-29-21)34-9-20(33)30-24-10-23(11-24,12-24)6-17(32)19-5-16(31)15-4-13(25)2-3-18(15)35-19;1-31-21-25-7-14(8-26-21)32-9-20(30)27-23-10-22(11-23,12-23)6-17(29)19-5-16(28)15-4-13(24)2-3-18(15)33-19;1-12-2-5-17-14(6-12)16(30)7-18(33-17)20(32)29-22-9-21(10-22,11-22)28-19(31)15-4-3-13(8-27-15)34-23(24,25)26/h1-6,9,19,23,31H,7-8,10-14H2;2-5,8-9,14,20-21,23-25,31H,6-7,10-12H2,1H3,(H,29,32);2-6,8,16,18,31H,7,9-12H2,1H3,(H,29,32)(H,30,33);2-4,7-8,16,19,31H,5-6,9-12H2,1H3,(H,30,33);2-4,7-8,16,19,28H,5-6,9-12H2,1H3,(H,27,30);2-6,8,16,18,30H,7,9-11H2,1H3,(H,28,31)(H,29,32)/t19-,23-,24?,25?;14-,20-,21-,23+,24+,25-;16-,18-,23?,24?;16-,19-,23?,24?;16-,19-,22?,23?;16-,18-,21?,22?/m111111/s1.
What are the key properties of (2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide?
(2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide has a molecular weight of 2964.07 g/mol, XLogP of 21.62, 41 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-6-chloro-N-[3-[[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;(2R,4R)-6-chloro-N-[(1S,2R,4S,5S)-5-[3-(3-fluoro-4-methylphenoxy)-2-oxopropyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-4-hydroxy-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]-2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]oxyacetamide;N-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(2-methoxypyrimidin-5-yl)oxyacetamide;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-bicyclo[2.1.1]hexanyl]ethanone;N-[3-[[(2R,4R)-4-hydroxy-6-methyl-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 163687216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).