5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid

C171H113Cl2F25N16O14S2 — CID 157395394

IUPAC5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
SMILESCc1cc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)cc(C(F)(F)F)c1.Cc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccccc4)cc(C(F)(F)F)n3)c2)c1.Cc1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)cc1.Cc1ccc(-c2cccc(-c3nc(-c4ccc(Cl)cc4F)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccc[nH]4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4nccs4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4sccc4Cl)cc(C(F)(F)F)n3)c2)cc1C(=O)O
InChIInChI=1S/C27H18F6N2O2.C26H19F3N2O2.C25H15ClF4N2O2.C25H17F3N2O2.C23H14ClF3N2O2S.C23H16F3N3O2.C22H14F3N3O2S/c1-14-8-19(11-20(9-14)26(28,29)30)22-13-23(27(31,32)33)35-24(34-22)18-5-3-4-16(10-18)17-7-6-15(2)21(12-17)25(36)37;1-15-6-9-17(10-7-15)22-14-23(26(27,28)29)31-24(30-22)20-5-3-4-18(12-20)19-11-8-16(2)21(13-19)25(32)33;1-13-5-6-15(10-19(13)24(33)34)14-3-2-4-16(9-14)23-31-21(12-22(32-23)25(28,29)30)18-8-7-17(26)11-20(18)27;1-15-10-19(13-20(11-15)24(31)32)17-8-5-9-18(12-17)23-29-21(16-6-3-2-4-7-16)14-22(30-23)25(26,27)28;1-12-5-6-14(10-16(12)22(30)31)13-3-2-4-15(9-13)21-28-18(20-17(24)7-8-32-20)11-19(29-21)23(25,26)27;1-13-7-8-15(11-17(13)22(30)31)14-4-2-5-16(10-14)21-28-19(18-6-3-9-27-18)12-20(29-21)23(24,25)26;1-12-5-6-14(10-16(12)21(29)30)13-3-2-4-15(9-13)19-27-17(20-26-7-8-31-20)11-18(28-19)22(23,24)25/h3-13H,1-2H3,(H,36,37);3-14H,1-2H3,(H,32,33);2-12H,1H3,(H,33,34);2-14H,1H3,(H,31,32);2-11H,1H3,(H,30,31);2-12,27H,1H3,(H,30,31);2-11H,1H3,(H,29,30)
InChIKeyBMMWVDDMBCHVAQ-UHFFFAOYSA-N
MW3225.87 g/mol
LogP47.45
Rot. Bonds28

About 5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid

5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid (PubChem CID 157395394) has the molecular formula C171H113Cl2F25N16O14S2 and a molecular weight of 3225.87 g/mol. Its IUPAC name is 5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid.

Molecular Properties

Compound Name5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
PubChem CID157395394
Molecular FormulaC171H113Cl2F25N16O14S2
Molecular Weight3225.87 g/mol
Exact Mass3222.70
IUPAC Name5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
SMILESCc1cc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)cc(C(F)(F)F)c1.Cc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccccc4)cc(C(F)(F)F)n3)c2)c1.Cc1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)cc1.Cc1ccc(-c2cccc(-c3nc(-c4ccc(Cl)cc4F)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccc[nH]4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4nccs4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4sccc4Cl)cc(C(F)(F)F)n3)c2)cc1C(=O)O
InChIInChI=1S/C27H18F6N2O2.C26H19F3N2O2.C25H15ClF4N2O2.C25H17F3N2O2.C23H14ClF3N2O2S.C23H16F3N3O2.C22H14F3N3O2S/c1-14-8-19(11-20(9-14)26(28,29)30)22-13-23(27(31,32)33)35-24(34-22)18-5-3-4-16(10-18)17-7-6-15(2)21(12-17)25(36)37;1-15-6-9-17(10-7-15)22-14-23(26(27,28)29)31-24(30-22)20-5-3-4-18(12-20)19-11-8-16(2)21(13-19)25(32)33;1-13-5-6-15(10-19(13)24(33)34)14-3-2-4-16(9-14)23-31-21(12-22(32-23)25(28,29)30)18-8-7-17(26)11-20(18)27;1-15-10-19(13-20(11-15)24(31)32)17-8-5-9-18(12-17)23-29-21(16-6-3-2-4-7-16)14-22(30-23)25(26,27)28;1-12-5-6-14(10-16(12)22(30)31)13-3-2-4-15(9-13)21-28-18(20-17(24)7-8-32-20)11-19(29-21)23(25,26)27;1-13-7-8-15(11-17(13)22(30)31)14-4-2-5-16(10-14)21-28-19(18-6-3-9-27-18)12-20(29-21)23(24,25)26;1-12-5-6-14(10-16(12)21(29)30)13-3-2-4-15(9-13)19-27-17(20-26-7-8-31-20)11-18(28-19)22(23,24)25/h3-13H,1-2H3,(H,36,37);3-14H,1-2H3,(H,32,33);2-12H,1H3,(H,33,34);2-14H,1H3,(H,31,32);2-11H,1H3,(H,30,31);2-12,27H,1H3,(H,30,31);2-11H,1H3,(H,29,30)
InChIKeyBMMWVDDMBCHVAQ-UHFFFAOYSA-N
XLogP47.45
TPSA470.24 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003225.87
LogP ≤ 547.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid with MolForge

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Related Compounds

5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid;(5S)-5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid;(5R)-5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid;tris(2,2,2-trifluoroacetic acid)
CID 157552423
methyl 5-amino-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylate;methyl (5S)-5-amino-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylate;methyl (5R)-5-amino-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylate;2,2,2-trifluoroacetic acid
CID 158507782
N-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 158860470
3-[[2-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)phenyl]methylsulfonyl]-4-ethylbenzoic acid;4-ethyl-3-[[2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)phenyl]methylsulfonyl]benzoic acid;4-ethyl-3-[[2-pyrimidin-2-yl-5-(trifluoromethyl)phenyl]methylsulfonyl]benzoic acid;4-ethyl-3-[[2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)phenyl]methylsulfonyl]benzoic acid
CID 167683102
1-[2-[2-(benzylamino)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-8-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[8-chloro-2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-hydroxy-1-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinolin-6-yl]ethanone
CID 158730197
1-[2-[2-(benzylamino)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-8-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[8-chloro-2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[8-chloro-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-hydroxy-1-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinolin-6-yl]ethanone
CID 159662584

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid?
The IUPAC name of 5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid (CID 157395394) is 5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid.
What is the SMILES notation for 5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid?
The canonical SMILES for 5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid is Cc1cc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)cc(C(F)(F)F)c1.Cc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccccc4)cc(C(F)(F)F)n3)c2)c1.Cc1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)cc1.Cc1ccc(-c2cccc(-c3nc(-c4ccc(Cl)cc4F)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccc[nH]4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4nccs4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4sccc4Cl)cc(C(F)(F)F)n3)c2)cc1C(=O)O.
What is the InChIKey of 5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid?
The InChIKey is BMMWVDDMBCHVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F6N2O2.C26H19F3N2O2.C25H15ClF4N2O2.C25H17F3N2O2.C23H14ClF3N2O2S.C23H16F3N3O2.C22H14F3N3O2S/c1-14-8-19(11-20(9-14)26(28,29)30)22-13-23(27(31,32)33)35-24(34-22)18-5-3-4-16(10-18)17-7-6-15(2)21(12-17)25(36)37;1-15-6-9-17(10-7-15)22-14-23(26(27,28)29)31-24(30-22)20-5-3-4-18(12-20)19-11-8-16(2)21(13-19)25(32)33;1-13-5-6-15(10-19(13)24(33)34)14-3-2-4-16(9-14)23-31-21(12-22(32-23)25(28,29)30)18-8-7-17(26)11-20(18)27;1-15-10-19(13-20(11-15)24(31)32)17-8-5-9-18(12-17)23-29-21(16-6-3-2-4-7-16)14-22(30-23)25(26,27)28;1-12-5-6-14(10-16(12)22(30)31)13-3-2-4-15(9-13)21-28-18(20-17(24)7-8-32-20)11-19(29-21)23(25,26)27;1-13-7-8-15(11-17(13)22(30)31)14-4-2-5-16(10-14)21-28-19(18-6-3-9-27-18)12-20(29-21)23(24,25)26;1-12-5-6-14(10-16(12)21(29)30)13-3-2-4-15(9-13)19-27-17(20-26-7-8-31-20)11-18(28-19)22(23,24)25/h3-13H,1-2H3,(H,36,37);3-14H,1-2H3,(H,32,33);2-12H,1H3,(H,33,34);2-14H,1H3,(H,31,32);2-11H,1H3,(H,30,31);2-12,27H,1H3,(H,30,31);2-11H,1H3,(H,29,30).
What are the key properties of 5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid?
5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid has a molecular weight of 3225.87 g/mol, XLogP of 47.45, 28 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid is sourced from PubChem (CID 157395394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).