2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid

C190H228F2N12O21 — CID 167564478

IUPAC2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc(Cc3ccc(C(=O)O)c(F)c3)ccc21.CC1(C)CCC(C)(C)c2cc(Cc3cnc(C(=O)O)cn3)ccc21.Cc1cc2c(cc1Cc1ccc(C(=O)O)c(F)c1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1ccc(C(=O)O)cn1)C(C)(C)COC2(C)C.Cc1cc2c(cc1Cc1cnc(C(=O)O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1cnc(C(=O)O)cn1)C(C)(C)COC2(C)C.Cc1cc2c(cc1Cc1ncc(C(=O)O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1ncc(C(=O)O)cn1)C(C)(C)COC2(C)C
InChIInChI=1S/C23H27FO2.C22H25FO2.C22H27NO2.2C21H26N2O2.C21H25NO3.2C20H24N2O3.C20H24N2O2/c1-14-10-18-19(23(4,5)9-8-22(18,2)3)13-16(14)11-15-6-7-17(21(25)26)20(24)12-15;1-21(2)9-10-22(3,4)18-12-14(6-8-17(18)21)11-15-5-7-16(20(24)25)19(23)13-15;1-14-10-18-19(22(4,5)9-8-21(18,2)3)12-16(14)11-17-7-6-15(13-23-17)20(24)25;1-13-8-16-17(21(4,5)7-6-20(16,2)3)9-14(13)10-18-22-11-15(12-23-18)19(24)25;1-13-8-16-17(21(4,5)7-6-20(16,2)3)10-14(13)9-15-11-23-18(12-22-15)19(24)25;1-13-8-18-17(20(2,3)12-25-21(18,4)5)10-15(13)9-16-7-6-14(11-22-16)19(23)24;1-12-6-16-15(19(2,3)11-25-20(16,4)5)7-13(12)8-17-21-9-14(10-22-17)18(23)24;1-12-6-16-15(19(2,3)11-25-20(16,4)5)8-13(12)7-14-9-22-17(10-21-14)18(23)24;1-19(2)7-8-20(3,4)16-10-13(5-6-15(16)19)9-14-11-22-17(12-21-14)18(23)24/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,25,26);5-8,12-13H,9-11H2,1-4H3,(H,24,25);6-7,10,12-13H,8-9,11H2,1-5H3,(H,24,25);8-9,11-12H,6-7,10H2,1-5H3,(H,24,25);8,10-12H,6-7,9H2,1-5H3,(H,24,25);6-8,10-11H,9,12H2,1-5H3,(H,23,24);6-7,9-10H,8,11H2,1-5H3,(H,23,24);6,8-10H,7,11H2,1-5H3,(H,23,24);5-6,10-12H,7-9H2,1-4H3,(H,23,24)
InChIKeyFCFJIVNIDJWLAE-UHFFFAOYSA-N
MW3053.97 g/mol
LogP40.68
Rot. Bonds27

About 2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid

2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid (PubChem CID 167564478) has the molecular formula C190H228F2N12O21 and a molecular weight of 3053.97 g/mol. Its IUPAC name is 2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid
PubChem CID167564478
Molecular FormulaC190H228F2N12O21
Molecular Weight3053.97 g/mol
Exact Mass3051.71
IUPAC Name2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc(Cc3ccc(C(=O)O)c(F)c3)ccc21.CC1(C)CCC(C)(C)c2cc(Cc3cnc(C(=O)O)cn3)ccc21.Cc1cc2c(cc1Cc1ccc(C(=O)O)c(F)c1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1ccc(C(=O)O)cn1)C(C)(C)COC2(C)C.Cc1cc2c(cc1Cc1cnc(C(=O)O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1cnc(C(=O)O)cn1)C(C)(C)COC2(C)C.Cc1cc2c(cc1Cc1ncc(C(=O)O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1ncc(C(=O)O)cn1)C(C)(C)COC2(C)C
InChIInChI=1S/C23H27FO2.C22H25FO2.C22H27NO2.2C21H26N2O2.C21H25NO3.2C20H24N2O3.C20H24N2O2/c1-14-10-18-19(23(4,5)9-8-22(18,2)3)13-16(14)11-15-6-7-17(21(25)26)20(24)12-15;1-21(2)9-10-22(3,4)18-12-14(6-8-17(18)21)11-15-5-7-16(20(24)25)19(23)13-15;1-14-10-18-19(22(4,5)9-8-21(18,2)3)12-16(14)11-17-7-6-15(13-23-17)20(24)25;1-13-8-16-17(21(4,5)7-6-20(16,2)3)9-14(13)10-18-22-11-15(12-23-18)19(24)25;1-13-8-16-17(21(4,5)7-6-20(16,2)3)10-14(13)9-15-11-23-18(12-22-15)19(24)25;1-13-8-18-17(20(2,3)12-25-21(18,4)5)10-15(13)9-16-7-6-14(11-22-16)19(23)24;1-12-6-16-15(19(2,3)11-25-20(16,4)5)7-13(12)8-17-21-9-14(10-22-17)18(23)24;1-12-6-16-15(19(2,3)11-25-20(16,4)5)8-13(12)7-14-9-22-17(10-21-14)18(23)24;1-19(2)7-8-20(3,4)16-10-13(5-6-15(16)19)9-14-11-22-17(12-21-14)18(23)24/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,25,26);5-8,12-13H,9-11H2,1-4H3,(H,24,25);6-7,10,12-13H,8-9,11H2,1-5H3,(H,24,25);8-9,11-12H,6-7,10H2,1-5H3,(H,24,25);8,10-12H,6-7,9H2,1-5H3,(H,24,25);6-8,10-11H,9,12H2,1-5H3,(H,23,24);6-7,9-10H,8,11H2,1-5H3,(H,23,24);6,8-10H,7,11H2,1-5H3,(H,23,24);5-6,10-12H,7-9H2,1-4H3,(H,23,24)
InChIKeyFCFJIVNIDJWLAE-UHFFFAOYSA-N
XLogP40.68
TPSA518.07 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds27
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003053.97
LogP ≤ 540.68
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze 2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

[2-[2-[4-[6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carbonyl]oxy-2,6,6-trimethylpiperidin-2-yl]ethyl]-2,6,6-trimethylpiperidin-4-yl] 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate
CID 132094142
Bis(5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid);2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
CID 157053243
CID 157722396
CID 157722396
4-[Ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid;2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboxylic acid
CID 157890268
5-[Ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
CID 158828375
5-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyridine-2-carboxylic acid;2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
CID 159372514
2-[3-(cyclopropylmethoxy)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)anilino]pyrimidine-5-carboxylic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylic acid
CID 160433289
4-[6-[3-Methyl-5-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-yl]benzoic acid;6-[6-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid;4-(6-phenyl-1,2,4,5-tetrazin-3-yl)benzoic acid;6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid;4-(6-pyridin-3-yl-1,2,4,5-tetrazin-3-yl)benzoic acid;6-(6-pyridin-3-yl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid;6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid;5-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)pyrimidine-2-carboxylic acid
CID 161147032
4-[6-[3-Methyl-5-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-yl]benzoic acid;6-[6-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid;4-(6-phenyl-1,2,4,5-tetrazin-3-yl)benzoic acid;6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid;4-(6-pyridin-3-yl-1,2,4,5-tetrazin-3-yl)benzoic acid;bis(6-(6-pyridin-3-yl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid);6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid;5-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)pyrimidine-2-carboxylic acid
CID 161404342
4-[Ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid;5-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid;5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylic acid;6-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid
CID 157076115
3-Methylpyridine-2-carboxylic acid;4-methylpyridine-2-carboxylic acid;6-methylpyridine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;pyrimidine-2-carboxylic acid;pyrimidine-4-carboxylic acid;quinoline-2-carboxylic acid;quinoline-8-carboxylic acid;1,3,5-triazine-2-carboxylic acid
CID 157143557
5-Methoxycarbonylpyrimidine-2-carboxylic acid;methyl 2-carbonochloridoylpyrimidine-5-carboxylate;methyl 6-(2-hydroxyacetyl)pyridine-3-carboxylate;methyl 2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylic acid;pyrimidine-2,5-dicarboxylic acid;thionyl dichloride;trichloroalumane
CID 157276848

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid?
The IUPAC name of 2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid (CID 167564478) is 2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid is CC1(C)CCC(C)(C)c2cc(Cc3ccc(C(=O)O)c(F)c3)ccc21.CC1(C)CCC(C)(C)c2cc(Cc3cnc(C(=O)O)cn3)ccc21.Cc1cc2c(cc1Cc1ccc(C(=O)O)c(F)c1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1ccc(C(=O)O)cn1)C(C)(C)COC2(C)C.Cc1cc2c(cc1Cc1cnc(C(=O)O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1cnc(C(=O)O)cn1)C(C)(C)COC2(C)C.Cc1cc2c(cc1Cc1ncc(C(=O)O)cn1)C(C)(C)CCC2(C)C.Cc1cc2c(cc1Cc1ncc(C(=O)O)cn1)C(C)(C)COC2(C)C.
What is the InChIKey of 2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid?
The InChIKey is FCFJIVNIDJWLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FO2.C22H25FO2.C22H27NO2.2C21H26N2O2.C21H25NO3.2C20H24N2O3.C20H24N2O2/c1-14-10-18-19(23(4,5)9-8-22(18,2)3)13-16(14)11-15-6-7-17(21(25)26)20(24)12-15;1-21(2)9-10-22(3,4)18-12-14(6-8-17(18)21)11-15-5-7-16(20(24)25)19(23)13-15;1-14-10-18-19(22(4,5)9-8-21(18,2)3)12-16(14)11-17-7-6-15(13-23-17)20(24)25;1-13-8-16-17(21(4,5)7-6-20(16,2)3)9-14(13)10-18-22-11-15(12-23-18)19(24)25;1-13-8-16-17(21(4,5)7-6-20(16,2)3)10-14(13)9-15-11-23-18(12-22-15)19(24)25;1-13-8-18-17(20(2,3)12-25-21(18,4)5)10-15(13)9-16-7-6-14(11-22-16)19(23)24;1-12-6-16-15(19(2,3)11-25-20(16,4)5)7-13(12)8-17-21-9-14(10-22-17)18(23)24;1-12-6-16-15(19(2,3)11-25-20(16,4)5)8-13(12)7-14-9-22-17(10-21-14)18(23)24;1-19(2)7-8-20(3,4)16-10-13(5-6-15(16)19)9-14-11-22-17(12-21-14)18(23)24/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,25,26);5-8,12-13H,9-11H2,1-4H3,(H,24,25);6-7,10,12-13H,8-9,11H2,1-5H3,(H,24,25);8-9,11-12H,6-7,10H2,1-5H3,(H,24,25);8,10-12H,6-7,9H2,1-5H3,(H,24,25);6-8,10-11H,9,12H2,1-5H3,(H,23,24);6-7,9-10H,8,11H2,1-5H3,(H,23,24);6,8-10H,7,11H2,1-5H3,(H,23,24);5-6,10-12H,7-9H2,1-4H3,(H,23,24).
What are the key properties of 2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid?
2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid has a molecular weight of 3053.97 g/mol, XLogP of 40.68, 27 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid;5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid;6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyridine-3-carboxylic acid;2-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrimidine-5-carboxylic acid;5-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrazine-2-carboxylic acid;6-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyridine-3-carboxylic acid;2-[(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)methyl]pyrimidine-5-carboxylic acid;5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167564478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).