1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one

C156H135F24N15O22 — CID 167588046

IUPAC1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one
SMILESCOc1ccc(C(O)(CCC(=O)c2ccc3c(c2)N(C)C(=O)C3)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc3c(c2)NC(=O)C3)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc3c(c2)ncn3C)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc3ncn(C)c3c2)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc3ncoc3c2)C(F)(F)F)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C27H24F4N2O4.C26H23F4N3O4.2C26H23F4N3O3.C26H22F4N2O4.C25H20F4N2O4/c1-15-12-18(6-7-19(15)28)25-22(37-3)8-9-23(32-25)26(36,27(29,30)31)11-10-21(34)17-5-4-16-14-24(35)33(2)20(16)13-17;1-14-12-16(4-6-17(14)27)23-21(37-3)8-9-22(32-23)25(36,26(28,29)30)11-10-20(34)15-5-7-19-18(13-15)31-24(35)33(19)2;1-15-12-17(4-6-18(15)27)24-22(36-3)8-9-23(32-24)25(35,26(28,29)30)11-10-21(34)16-5-7-20-19(13-16)31-14-33(20)2;1-15-12-17(4-6-18(15)27)24-22(36-3)8-9-23(32-24)25(35,26(28,29)30)11-10-21(34)16-5-7-19-20(13-16)33(2)14-31-19;1-14-11-17(5-6-18(14)27)24-21(36-2)7-8-22(32-24)25(35,26(28,29)30)10-9-20(33)16-4-3-15-13-23(34)31-19(15)12-16;1-14-11-16(3-5-17(14)26)23-20(34-2)7-8-22(31-23)24(33,25(27,28)29)10-9-19(32)15-4-6-18-21(12-15)35-13-30-18/h4-9,12-13,36H,10-11,14H2,1-3H3;4-9,12-13,36H,10-11H2,1-3H3,(H,31,35);2*4-9,12-14,35H,10-11H2,1-3H3;3-8,11-12,35H,9-10,13H2,1-2H3,(H,31,34);3-8,11-13,33H,9-10H2,1-2H3
InChIKeyIBBAWCIZWOPEET-UHFFFAOYSA-N
MW3027.83 g/mol
LogP31.81
Rot. Bonds42

About 1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one

1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one (PubChem CID 167588046) has the molecular formula C156H135F24N15O22 and a molecular weight of 3027.83 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one
PubChem CID167588046
Molecular FormulaC156H135F24N15O22
Molecular Weight3027.83 g/mol
Exact Mass3025.95
IUPAC Name1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one
SMILESCOc1ccc(C(O)(CCC(=O)c2ccc3c(c2)N(C)C(=O)C3)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc3c(c2)NC(=O)C3)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc3c(c2)ncn3C)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc3ncn(C)c3c2)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc3ncoc3c2)C(F)(F)F)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C27H24F4N2O4.C26H23F4N3O4.2C26H23F4N3O3.C26H22F4N2O4.C25H20F4N2O4/c1-15-12-18(6-7-19(15)28)25-22(37-3)8-9-23(32-25)26(36,27(29,30)31)11-10-21(34)17-5-4-16-14-24(35)33(2)20(16)13-17;1-14-12-16(4-6-17(14)27)23-21(37-3)8-9-22(32-23)25(36,26(28,29)30)11-10-20(34)15-5-7-19-18(13-15)31-24(35)33(19)2;1-15-12-17(4-6-18(15)27)24-22(36-3)8-9-23(32-24)25(35,26(28,29)30)11-10-21(34)16-5-7-20-19(13-16)31-14-33(20)2;1-15-12-17(4-6-18(15)27)24-22(36-3)8-9-23(32-24)25(35,26(28,29)30)11-10-21(34)16-5-7-19-20(13-16)33(2)14-31-19;1-14-11-17(5-6-18(14)27)24-21(36-2)7-8-22(32-24)25(35,26(28,29)30)10-9-20(33)16-4-3-15-13-23(34)31-19(15)12-16;1-14-11-16(3-5-17(14)26)23-20(34-2)7-8-22(31-23)24(33,25(27,28)29)10-9-19(32)15-4-6-18-21(12-15)35-13-30-18/h4-9,12-13,36H,10-11,14H2,1-3H3;4-9,12-13,36H,10-11H2,1-3H3,(H,31,35);2*4-9,12-14,35H,10-11H2,1-3H3;3-8,11-12,35H,9-10,13H2,1-2H3,(H,31,34);3-8,11-13,33H,9-10H2,1-2H3
InChIKeyIBBAWCIZWOPEET-UHFFFAOYSA-N
XLogP31.81
TPSA505.39 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds42
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003027.83
LogP ≤ 531.81
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze 1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-[(1-hydroxycyclopropyl)methoxy]-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(5-methoxyquinolin-7-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one
CID 159789801
[4-[[4-[2-(2-Hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone;[4-[[4-[2-(2-imidazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone;7-[2-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-2,3-dihydroisoindol-1-one;1-[2-[2-[2-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]ethanone
CID 161156286
CID 161406592
CID 161406592
CID 162292426
CID 162292426
CID 164178768
CID 164178768
3-(dimethylamino)-N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]propanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3,3,3-trifluoropropanamide;(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-3-[(5-methyl-1,3-benzoxazol-2-yl)amino]heptane-1,4-dione;bis((3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-3-[(6-methyl-1,3-benzoxazol-2-yl)amino]heptane-1,4-dione);trans-(1S,2S)-N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2-phenylcyclopropane-1-carboxamide
CID 164178770
(4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;bis((4S)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one)
CID 164959769
N-[2-(dimethylamino)ethyl]-3-methoxy-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[5-[6-(dimethylamino)-3-pyridinyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-4-[[4-methoxy-5-[4-[1-(methylamino)ethenyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157454668
6-[3-(1,3-Benzoxazol-6-yl)-5-triphenylen-2-ylphenyl]-1,3-benzoxazole;1-methyl-6-[3-(3-methylbenzimidazol-5-yl)-5-triphenylen-2-ylphenyl]benzimidazole;bis(2-[3-(1,10-phenanthrolin-2-yl)-5-triphenylen-2-ylphenyl]-1,10-phenanthroline);5-[3-(1,10-phenanthrolin-5-yl)-5-triphenylen-2-ylphenyl]-1,10-phenanthroline;5-(3-quinolin-5-yl-5-triphenylen-2-ylphenyl)quinoline;6-(3-quinolin-6-yl-5-triphenylen-2-ylphenyl)quinoline
CID 160488738
4-[[5-(2,3-dimethylbenzimidazol-5-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-(4-hydroxy-4-methylcyclohexyl)oxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,3-dimethylbenzamide;4-[[4-methoxy-5-[3-(methylcarbamoyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,3-dimethylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2-oxo-1H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-[4-(1H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 160773835

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one?
The IUPAC name of 1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one (CID 167588046) is 1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one is COc1ccc(C(O)(CCC(=O)c2ccc3c(c2)N(C)C(=O)C3)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc3c(c2)NC(=O)C3)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc3c(c2)ncn3C)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc3ncn(C)c3c2)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc3ncoc3c2)C(F)(F)F)nc1-c1ccc(F)c(C)c1.
What is the InChIKey of 1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one?
The InChIKey is IBBAWCIZWOPEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F4N2O4.C26H23F4N3O4.2C26H23F4N3O3.C26H22F4N2O4.C25H20F4N2O4/c1-15-12-18(6-7-19(15)28)25-22(37-3)8-9-23(32-25)26(36,27(29,30)31)11-10-21(34)17-5-4-16-14-24(35)33(2)20(16)13-17;1-14-12-16(4-6-17(14)27)23-21(37-3)8-9-22(32-23)25(36,26(28,29)30)11-10-20(34)15-5-7-19-18(13-15)31-24(35)33(19)2;1-15-12-17(4-6-18(15)27)24-22(36-3)8-9-23(32-24)25(35,26(28,29)30)11-10-21(34)16-5-7-20-19(13-16)31-14-33(20)2;1-15-12-17(4-6-18(15)27)24-22(36-3)8-9-23(32-24)25(35,26(28,29)30)11-10-21(34)16-5-7-19-20(13-16)33(2)14-31-19;1-14-11-17(5-6-18(14)27)24-21(36-2)7-8-22(32-24)25(35,26(28,29)30)10-9-20(33)16-4-3-15-13-23(34)31-19(15)12-16;1-14-11-16(3-5-17(14)26)23-20(34-2)7-8-22(31-23)24(33,25(27,28)29)10-9-19(32)15-4-6-18-21(12-15)35-13-30-18/h4-9,12-13,36H,10-11,14H2,1-3H3;4-9,12-13,36H,10-11H2,1-3H3,(H,31,35);2*4-9,12-14,35H,10-11H2,1-3H3;3-8,11-12,35H,9-10,13H2,1-2H3,(H,31,34);3-8,11-13,33H,9-10H2,1-2H3.
What are the key properties of 1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one?
1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one has a molecular weight of 3027.83 g/mol, XLogP of 31.81, 42 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-6-yl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;3-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1H-benzimidazol-2-one;1-methyl-6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-3H-indol-2-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(1-methylbenzimidazol-5-yl)pentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methylbenzimidazol-5-yl)pentan-1-one;6-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 167588046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).