5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine

C144H158F3N15O9 — CID 159390194

IUPAC5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
SMILESCC(C)(C)c1cccc2c1CC(=O)N(C1CCCCC1)C2.CC(C)(C)c1cccc2nc(-c3cccnc3)oc12.CC(C)(C)c1cccn2cc(-c3ccc(OC(F)(F)F)cc3)nc12.CC(C)(C)c1cccn2cc(-c3cccc(O)c3)nc12.CNC(=O)c1ccc(-c2cc3cccc(C(C)(C)C)c3cn2)cn1.COc1ccc(-c2cn3c(C(C)(C)C)cccc3n2)cc1.COc1ccc(-c2cn3cccc(C(C)(C)C)c3n2)cc1.COc1ccc(-c2nc3cccc(C(C)(C)C)c3o2)cc1
InChIInChI=1S/C20H21N3O.C19H27NO.C18H17F3N2O.2C18H20N2O.C18H19NO2.C17H18N2O.C16H16N2O/c1-20(2,3)16-7-5-6-13-10-18(23-12-15(13)16)14-8-9-17(22-11-14)19(24)21-4;1-19(2,3)17-11-7-8-14-13-20(18(21)12-16(14)17)15-9-5-4-6-10-15;1-17(2,3)14-5-4-10-23-11-15(22-16(14)23)12-6-8-13(9-7-12)24-18(19,20)21;1-18(2,3)15-6-5-11-20-12-16(19-17(15)20)13-7-9-14(21-4)10-8-13;1-18(2,3)16-6-5-7-17-19-15(12-20(16)17)13-8-10-14(21-4)11-9-13;1-18(2,3)14-6-5-7-15-16(14)21-17(19-15)12-8-10-13(20-4)11-9-12;1-17(2,3)14-8-5-9-19-11-15(18-16(14)19)12-6-4-7-13(20)10-12;1-16(2,3)12-7-4-8-13-14(12)19-15(18-13)11-6-5-9-17-10-11/h5-12H,1-4H3,(H,21,24);7-8,11,15H,4-6,9-10,12-13H2,1-3H3;4-11H,1-3H3;2*5-12H,1-4H3;5-11H,1-4H3;4-11,20H,1-3H3;4-10H,1-3H3
InChIKeyLLZZEMAPSUQWFR-UHFFFAOYSA-N
MW2299.94 g/mol
LogP34.96
Rot. Bonds13

About 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine

5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine (PubChem CID 159390194) has the molecular formula C144H158F3N15O9 and a molecular weight of 2299.94 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
PubChem CID159390194
Molecular FormulaC144H158F3N15O9
Molecular Weight2299.94 g/mol
Exact Mass2298.23
IUPAC Name5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
SMILESCC(C)(C)c1cccc2c1CC(=O)N(C1CCCCC1)C2.CC(C)(C)c1cccc2nc(-c3cccnc3)oc12.CC(C)(C)c1cccn2cc(-c3ccc(OC(F)(F)F)cc3)nc12.CC(C)(C)c1cccn2cc(-c3cccc(O)c3)nc12.CNC(=O)c1ccc(-c2cc3cccc(C(C)(C)C)c3cn2)cn1.COc1ccc(-c2cn3c(C(C)(C)C)cccc3n2)cc1.COc1ccc(-c2cn3cccc(C(C)(C)C)c3n2)cc1.COc1ccc(-c2nc3cccc(C(C)(C)C)c3o2)cc1
InChIInChI=1S/C20H21N3O.C19H27NO.C18H17F3N2O.2C18H20N2O.C18H19NO2.C17H18N2O.C16H16N2O/c1-20(2,3)16-7-5-6-13-10-18(23-12-15(13)16)14-8-9-17(22-11-14)19(24)21-4;1-19(2,3)17-11-7-8-14-13-20(18(21)12-16(14)17)15-9-5-4-6-10-15;1-17(2,3)14-5-4-10-23-11-15(22-16(14)23)12-6-8-13(9-7-12)24-18(19,20)21;1-18(2,3)15-6-5-11-20-12-16(19-17(15)20)13-7-9-14(21-4)10-8-13;1-18(2,3)16-6-5-7-17-19-15(12-20(16)17)13-8-10-14(21-4)11-9-13;1-18(2,3)14-6-5-7-15-16(14)21-17(19-15)12-8-10-13(20-4)11-9-12;1-17(2,3)14-8-5-9-19-11-15(18-16(14)19)12-6-4-7-13(20)10-12;1-16(2,3)12-7-4-8-13-14(12)19-15(18-13)11-6-5-9-17-10-11/h5-12H,1-4H3,(H,21,24);7-8,11,15H,4-6,9-10,12-13H2,1-3H3;4-11H,1-3H3;2*5-12H,1-4H3;5-11H,1-4H3;4-11,20H,1-3H3;4-10H,1-3H3
InChIKeyLLZZEMAPSUQWFR-UHFFFAOYSA-N
XLogP34.96
TPSA266.49 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002299.94
LogP ≤ 534.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

[5-(Aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 57601803
7-[1-[5-[1-[8-Tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-methylpropan-2-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpropan-2-yl]-2-pyridin-3-yl-1,3-benzoxazole
CID 139382904
5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 157067687
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone;(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157093503
(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-[(3R)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 157242209
5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate
CID 157454284
[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrimidin-2-ylamino)piperidin-1-yl]methanone;[5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrimidin-2-ylamino)piperidin-1-yl]methanone;[5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methanone
CID 157863277
8-tert-butyl-2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 157894266
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158180516
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one
CID 158723844
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158885713
2-(1,3-benzoxazol-7-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzoxazol-7-yl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-2-(6-cyclopropyloxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 158900408

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine (CID 159390194) is 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine is CC(C)(C)c1cccc2c1CC(=O)N(C1CCCCC1)C2.CC(C)(C)c1cccc2nc(-c3cccnc3)oc12.CC(C)(C)c1cccn2cc(-c3ccc(OC(F)(F)F)cc3)nc12.CC(C)(C)c1cccn2cc(-c3cccc(O)c3)nc12.CNC(=O)c1ccc(-c2cc3cccc(C(C)(C)C)c3cn2)cn1.COc1ccc(-c2cn3c(C(C)(C)C)cccc3n2)cc1.COc1ccc(-c2cn3cccc(C(C)(C)C)c3n2)cc1.COc1ccc(-c2nc3cccc(C(C)(C)C)c3o2)cc1.
What is the InChIKey of 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is LLZZEMAPSUQWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.C19H27NO.C18H17F3N2O.2C18H20N2O.C18H19NO2.C17H18N2O.C16H16N2O/c1-20(2,3)16-7-5-6-13-10-18(23-12-15(13)16)14-8-9-17(22-11-14)19(24)21-4;1-19(2,3)17-11-7-8-14-13-20(18(21)12-16(14)17)15-9-5-4-6-10-15;1-17(2,3)14-5-4-10-23-11-15(22-16(14)23)12-6-8-13(9-7-12)24-18(19,20)21;1-18(2,3)15-6-5-11-20-12-16(19-17(15)20)13-7-9-14(21-4)10-8-13;1-18(2,3)16-6-5-7-17-19-15(12-20(16)17)13-8-10-14(21-4)11-9-13;1-18(2,3)14-6-5-7-15-16(14)21-17(19-15)12-8-10-13(20-4)11-9-12;1-17(2,3)14-8-5-9-19-11-15(18-16(14)19)12-6-4-7-13(20)10-12;1-16(2,3)12-7-4-8-13-14(12)19-15(18-13)11-6-5-9-17-10-11/h5-12H,1-4H3,(H,21,24);7-8,11,15H,4-6,9-10,12-13H2,1-3H3;4-11H,1-3H3;2*5-12H,1-4H3;5-11H,1-4H3;4-11,20H,1-3H3;4-10H,1-3H3.
What are the key properties of 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine?
5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 2299.94 g/mol, XLogP of 34.96, 13 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 159390194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).