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

C196H219FN8O27 — CID 159069118

IUPAC2-fluoro-4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid
SMILESC=C(c1ccc(C(=O)O)c(F)c1)c1ccc2c(c1)C(C)(C)COC2(C)C.C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)OCC2(C)C.C=C(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)COC2(C)C.C=C(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)OCC2(C)C.C=C(c1ccc2c(c1)C(C)(C)COC2(C)C)c1ccc(C(=O)O)cn1.C=C(c1ccc2c(c1)C(C)(C)COC2(C)C)c1ncc(C(=O)O)cn1.C=C(c1ncc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)OCC2(C)C.CC1(C)COC(C)(C)c2ccc(C3(c4ccc(C(=O)O)cn4)CC3)cc21.Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)COC2(C)C
InChIInChI=1S/C23H27NO3.C23H26O3.C22H23FO3.2C22H25NO3.C22H24O3.C21H24N2O3.C21H23NO3.C20H22N2O3/c1-14-10-18-17(21(2,3)13-27-22(18,4)5)11-16(14)23(8-9-23)19-7-6-15(12-24-19)20(25)26;1-14-11-20-19(22(3,4)13-26-23(20,5)6)12-18(14)15(2)16-7-9-17(10-8-16)21(24)25;1-13(15-6-8-16(20(24)25)19(23)11-15)14-7-9-17-18(10-14)21(2,3)12-26-22(17,4)5;1-20(2)13-26-21(3,4)16-7-6-15(11-17(16)20)22(9-10-22)18-8-5-14(12-23-18)19(24)25;1-13-9-18-17(21(3,4)12-26-22(18,5)6)10-16(13)14(2)19-8-7-15(11-23-19)20(24)25;1-14(15-6-8-16(9-7-15)20(23)24)17-10-11-18-19(12-17)21(2,3)13-25-22(18,4)5;1-12-7-17-16(20(3,4)11-26-21(17,5)6)8-15(12)13(2)18-22-9-14(10-23-18)19(24)25;1-13(18-9-7-15(11-22-18)19(23)24)14-6-8-16-17(10-14)20(2,3)12-25-21(16,4)5;1-12(17-21-9-14(10-22-17)18(23)24)13-6-7-15-16(8-13)19(2,3)11-25-20(15,4)5/h6-7,10-12H,8-9,13H2,1-5H3,(H,25,26);7-12H,2,13H2,1,3-6H3,(H,24,25);6-11H,1,12H2,2-5H3,(H,24,25);5-8,11-12H,9-10,13H2,1-4H3,(H,24,25);7-11H,2,12H2,1,3-6H3,(H,24,25);6-12H,1,13H2,2-5H3,(H,23,24);7-10H,2,11H2,1,3-6H3,(H,24,25);6-11H,1,12H2,2-5H3,(H,23,24);6-10H,1,11H2,2-5H3,(H,23,24)
InChIKeyJZKRUSDPKQOOMS-UHFFFAOYSA-N
MW3137.93 g/mol
LogP41.47
Rot. Bonds27

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

2-fluoro-4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid (PubChem CID 159069118) has the molecular formula C196H219FN8O27 and a molecular weight of 3137.93 g/mol. Its IUPAC name is 2-fluoro-4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid
PubChem CID159069118
Molecular FormulaC196H219FN8O27
Molecular Weight3137.93 g/mol
Exact Mass3135.60
IUPAC Name2-fluoro-4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid
SMILESC=C(c1ccc(C(=O)O)c(F)c1)c1ccc2c(c1)C(C)(C)COC2(C)C.C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)OCC2(C)C.C=C(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)COC2(C)C.C=C(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)OCC2(C)C.C=C(c1ccc2c(c1)C(C)(C)COC2(C)C)c1ccc(C(=O)O)cn1.C=C(c1ccc2c(c1)C(C)(C)COC2(C)C)c1ncc(C(=O)O)cn1.C=C(c1ncc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)OCC2(C)C.CC1(C)COC(C)(C)c2ccc(C3(c4ccc(C(=O)O)cn4)CC3)cc21.Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)COC2(C)C
InChIInChI=1S/C23H27NO3.C23H26O3.C22H23FO3.2C22H25NO3.C22H24O3.C21H24N2O3.C21H23NO3.C20H22N2O3/c1-14-10-18-17(21(2,3)13-27-22(18,4)5)11-16(14)23(8-9-23)19-7-6-15(12-24-19)20(25)26;1-14-11-20-19(22(3,4)13-26-23(20,5)6)12-18(14)15(2)16-7-9-17(10-8-16)21(24)25;1-13(15-6-8-16(20(24)25)19(23)11-15)14-7-9-17-18(10-14)21(2,3)12-26-22(17,4)5;1-20(2)13-26-21(3,4)16-7-6-15(11-17(16)20)22(9-10-22)18-8-5-14(12-23-18)19(24)25;1-13-9-18-17(21(3,4)12-26-22(18,5)6)10-16(13)14(2)19-8-7-15(11-23-19)20(24)25;1-14(15-6-8-16(9-7-15)20(23)24)17-10-11-18-19(12-17)21(2,3)13-25-22(18,4)5;1-12-7-17-16(20(3,4)11-26-21(17,5)6)8-15(12)13(2)18-22-9-14(10-23-18)19(24)25;1-13(18-9-7-15(11-22-18)19(23)24)14-6-8-16-17(10-14)20(2,3)12-25-21(16,4)5;1-12(17-21-9-14(10-22-17)18(23)24)13-6-7-15-16(8-13)19(2,3)11-25-20(15,4)5/h6-7,10-12H,8-9,13H2,1-5H3,(H,25,26);7-12H,2,13H2,1,3-6H3,(H,24,25);6-11H,1,12H2,2-5H3,(H,24,25);5-8,11-12H,9-10,13H2,1-4H3,(H,24,25);7-11H,2,12H2,1,3-6H3,(H,24,25);6-12H,1,13H2,2-5H3,(H,23,24);7-10H,2,11H2,1,3-6H3,(H,24,25);6-11H,1,12H2,2-5H3,(H,23,24);6-10H,1,11H2,2-5H3,(H,23,24)
InChIKeyJZKRUSDPKQOOMS-UHFFFAOYSA-N
XLogP41.47
TPSA521.89 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003137.93
LogP ≤ 541.47
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

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

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Related Compounds

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
Tris(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 160111438
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-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 160128752
3-[4-[3-(1,1-Difluoroethyl)phenyl]pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)pyrimidin-2-yl]benzoic acid;3-[4-(3-fluorophenyl)pyrimidin-2-yl]benzoic acid;3-[4-(4-methoxyphenyl)pyrimidin-2-yl]benzoic acid;3-[4-(3-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid
CID 160656148
(E)-3-(4-butylphenyl)prop-2-enoic acid;(E)-3-(4-tert-butylphenyl)prop-2-enoic acid;(E)-3-(6-tert-butyl-3-pyridinyl)prop-2-enoic acid;(E)-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid;2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid;(E)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid;(E)-3-(4-pentylphenyl)prop-2-enoic acid;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid;(E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid;(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 161955568
6-(N-benzyl-3,5-ditert-butylanilino)pyridine-3-carboxylic acid;6-[4-cyclopropyl-2-methyl-N,5-di(propan-2-yl)anilino]pyridine-3-carboxylic acid;6-[4-cyclopropyl-2-methyl-N-(2-methylpropyl)-5-propan-2-ylanilino]pyridine-3-carboxylic acid;2-[3-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid;2-[3-methyl-N-propan-2-yl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid
CID 164967807
2-[6-[5-[(1S)-1-tert-butoxy-2-hydroxy-2-oxo-ethyl]-4-(4,4-dimethyl-1-piperidyl)-2,6-dimethyl-3-pyridyl]-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxylic acid
CID 132118290
2-Methyl-1,8-naphthyridine-3-carboxylic acid;(3-phenylphenyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
CID 66632802
2-[6-[5-[carboxy-[(2-methylpropan-2-yl)oxy]methyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxylic acid
CID 132118291
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]-2-fluorobenzoic acid;2-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid;2-fluoro-4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)cyclopropyl]pyrimidine-5-carboxylic acid;2-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]pyrimidine-5-carboxylic acid
CID 157051200
(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;methane;methyl 3-(2-amino-2-iminoethyl)-4-methylbenzoate;methyl 3-amino-4-methylbenzoate;methyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzoate;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzoic acid;1-pyridin-3-ylethanone
CID 157110664
(E)-3-(dimethylamino)-1-(3H-pyridin-3-ylium-5-yl)prop-2-en-1-one;ethane;methyl 3-(2-amino-2-iminoethyl)-4-methylbenzoate;methyl 3-amino-4-methylbenzoate;methyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzoate;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzoic acid;1-pyridin-3-ylethanone
CID 157217085

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-fluoro-4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid (CID 159069118) is 2-fluoro-4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-fluoro-4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-fluoro-4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid is C=C(c1ccc(C(=O)O)c(F)c1)c1ccc2c(c1)C(C)(C)COC2(C)C.C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)OCC2(C)C.C=C(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)COC2(C)C.C=C(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)OCC2(C)C.C=C(c1ccc2c(c1)C(C)(C)COC2(C)C)c1ccc(C(=O)O)cn1.C=C(c1ccc2c(c1)C(C)(C)COC2(C)C)c1ncc(C(=O)O)cn1.C=C(c1ncc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)OCC2(C)C.CC1(C)COC(C)(C)c2ccc(C3(c4ccc(C(=O)O)cn4)CC3)cc21.Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)COC2(C)C.
What is the InChIKey of 2-fluoro-4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid?
The InChIKey is JZKRUSDPKQOOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3.C23H26O3.C22H23FO3.2C22H25NO3.C22H24O3.C21H24N2O3.C21H23NO3.C20H22N2O3/c1-14-10-18-17(21(2,3)13-27-22(18,4)5)11-16(14)23(8-9-23)19-7-6-15(12-24-19)20(25)26;1-14-11-20-19(22(3,4)13-26-23(20,5)6)12-18(14)15(2)16-7-9-17(10-8-16)21(24)25;1-13(15-6-8-16(20(24)25)19(23)11-15)14-7-9-17-18(10-14)21(2,3)12-26-22(17,4)5;1-20(2)13-26-21(3,4)16-7-6-15(11-17(16)20)22(9-10-22)18-8-5-14(12-23-18)19(24)25;1-13-9-18-17(21(3,4)12-26-22(18,5)6)10-16(13)14(2)19-8-7-15(11-23-19)20(24)25;1-14(15-6-8-16(9-7-15)20(23)24)17-10-11-18-19(12-17)21(2,3)13-25-22(18,4)5;1-12-7-17-16(20(3,4)11-26-21(17,5)6)8-15(12)13(2)18-22-9-14(10-23-18)19(24)25;1-13(18-9-7-15(11-22-18)19(23)24)14-6-8-16-17(10-14)20(2,3)12-25-21(16,4)5;1-12(17-21-9-14(10-22-17)18(23)24)13-6-7-15-16(8-13)19(2,3)11-25-20(15,4)5/h6-7,10-12H,8-9,13H2,1-5H3,(H,25,26);7-12H,2,13H2,1,3-6H3,(H,24,25);6-11H,1,12H2,2-5H3,(H,24,25);5-8,11-12H,9-10,13H2,1-4H3,(H,24,25);7-11H,2,12H2,1,3-6H3,(H,24,25);6-12H,1,13H2,2-5H3,(H,23,24);7-10H,2,11H2,1,3-6H3,(H,24,25);6-11H,1,12H2,2-5H3,(H,23,24);6-10H,1,11H2,2-5H3,(H,23,24).
What are the key properties of 2-fluoro-4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid?
2-fluoro-4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid has a molecular weight of 3137.93 g/mol, XLogP of 41.47, 27 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)cyclopropyl]pyridine-3-carboxylic acid;4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid;6-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyridine-3-carboxylic acid;2-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 159069118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).