4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole

C136H158F3N21O3S — CID 161178660

IUPAC4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole
SMILESCC(C)(C)c1cccc2[nH]c(-c3cccnc3)nc12.CC(C)(C)c1cccn2cc(C(=O)O)nc12.CNC(=O)c1ccc(-c2ncc3c(C(C)(C)C)cccc3c2F)cn1.Cc1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)s1.Cn1cc(-c2cc3cncc(C(C)(C)C)c3cc2C(F)F)cn1.Cn1cc(-c2ccc3c(c2)CCC=C3C(C)(C)C)cn1.Cn1cc(N2CCCc3c(cccc3C(C)(C)C)C2)cn1.Cn1cc(N2CCc3c(cccc3C(C)(C)C)C2)cn1
InChIInChI=1S/C20H20FN3O.C18H19F2N3.C18H25N3.C18H22N2.C17H23N3.C17H18N2S.C16H17N3.C12H14N2O2/c1-20(2,3)15-7-5-6-13-14(15)11-24-18(17(13)21)12-8-9-16(23-10-12)19(25)22-4;1-18(2,3)16-9-21-7-11-5-13(12-8-22-23(4)10-12)15(17(19)20)6-14(11)16;1-18(2,3)17-9-5-7-14-12-21(10-6-8-16(14)17)15-11-19-20(4)13-15;1-18(2,3)17-7-5-6-14-10-13(8-9-16(14)17)15-11-19-20(4)12-15;1-17(2,3)16-7-5-6-13-11-20(9-8-15(13)16)14-10-18-19(4)12-14;1-11-18-10-16(20-11)15-8-12-6-5-7-14(17(2,3)4)13(12)9-19-15;1-16(2,3)12-7-4-8-13-14(12)19-15(18-13)11-6-5-9-17-10-11;1-12(2,3)8-5-4-6-14-7-9(11(15)16)13-10(8)14/h5-11H,1-4H3,(H,22,25);5-10,17H,1-4H3;5,7,9,11,13H,6,8,10,12H2,1-4H3;7-12H,5-6H2,1-4H3;5-7,10,12H,8-9,11H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3,(H,18,19);4-7H,1-3H3,(H,15,16)
InChIKeyUSDORXULBFLUHJ-UHFFFAOYSA-N
MW2223.96 g/mol
LogP31.59
Rot. Bonds10

About 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole

4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole (PubChem CID 161178660) has the molecular formula C136H158F3N21O3S and a molecular weight of 2223.96 g/mol. Its IUPAC name is 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole.

Molecular Properties

Compound Name4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole
PubChem CID161178660
Molecular FormulaC136H158F3N21O3S
Molecular Weight2223.96 g/mol
Exact Mass2222.25
IUPAC Name4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole
SMILESCC(C)(C)c1cccc2[nH]c(-c3cccnc3)nc12.CC(C)(C)c1cccn2cc(C(=O)O)nc12.CNC(=O)c1ccc(-c2ncc3c(C(C)(C)C)cccc3c2F)cn1.Cc1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)s1.Cn1cc(-c2cc3cncc(C(C)(C)C)c3cc2C(F)F)cn1.Cn1cc(-c2ccc3c(c2)CCC=C3C(C)(C)C)cn1.Cn1cc(N2CCCc3c(cccc3C(C)(C)C)C2)cn1.Cn1cc(N2CCc3c(cccc3C(C)(C)C)C2)cn1
InChIInChI=1S/C20H20FN3O.C18H19F2N3.C18H25N3.C18H22N2.C17H23N3.C17H18N2S.C16H17N3.C12H14N2O2/c1-20(2,3)15-7-5-6-13-14(15)11-24-18(17(13)21)12-8-9-16(23-10-12)19(25)22-4;1-18(2,3)16-9-21-7-11-5-13(12-8-22-23(4)10-12)15(17(19)20)6-14(11)16;1-18(2,3)17-9-5-7-14-12-21(10-6-8-16(14)17)15-11-19-20(4)13-15;1-18(2,3)17-7-5-6-14-10-13(8-9-16(14)17)15-11-19-20(4)12-15;1-17(2,3)16-7-5-6-13-11-20(9-8-15(13)16)14-10-18-19(4)12-14;1-11-18-10-16(20-11)15-8-12-6-5-7-14(17(2,3)4)13(12)9-19-15;1-16(2,3)12-7-4-8-13-14(12)19-15(18-13)11-6-5-9-17-10-11;1-12(2,3)8-5-4-6-14-7-9(11(15)16)13-10(8)14/h5-11H,1-4H3,(H,22,25);5-10,17H,1-4H3;5,7,9,11,13H,6,8,10,12H2,1-4H3;7-12H,5-6H2,1-4H3;5-7,10,12H,8-9,11H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3,(H,18,19);4-7H,1-3H3,(H,15,16)
InChIKeyUSDORXULBFLUHJ-UHFFFAOYSA-N
XLogP31.59
TPSA267.48 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds10
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002223.96
LogP ≤ 531.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole with MolForge

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Related Compounds

[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(1,3-thiazol-2-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 162287462
5-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;N-[2,2-dimethyl-3-[4-(1-methylindazol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;1,4-dimethyl-N-[3-(4-quinolin-6-ylphenyl)propyl]pyrrole-2-carboxamide;5-[4-(1-methylbenzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;5-[4-(6-methyl-1H-indazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;5-[4-(7-methyl-1H-indazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;6-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;5-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;5-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;1-pyridin-3-yl-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]pentan-2-one;N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 158758337
6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1-hydroxy-4-methyl-3-methylidenequinoxalin-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-2-methylidene-1H-quinoline;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;2,2-dimethylpentane;2,2,3,3-tetramethylbutane;2,2,3,3-tetramethylbutanoic acid
CID 159523786
1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide
CID 159604590
4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole
CID 159712341
1-(2-acetyl-1,3-thiazol-4-yl)-2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]ethanone;2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(1S,3R)-3-[2-(1H-imidazol-5-yl)-2-oxoethyl]cyclohexyl]amino]pyrimidine-4-carboxylic acid;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-1-(1-methylimidazol-4-yl)ethanone;1-[(2R,3R)-3-[[3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-yl]methyl]-2-bicyclo[2.2.2]octanyl]ethanone
CID 160733095
CID 160779012
CID 160779012
4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole
CID 164093311
4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 164971106
4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one
CID 165085022

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole?
The IUPAC name of 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole (CID 161178660) is 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole.
What is the SMILES notation for 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole?
The canonical SMILES for 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole is CC(C)(C)c1cccc2[nH]c(-c3cccnc3)nc12.CC(C)(C)c1cccn2cc(C(=O)O)nc12.CNC(=O)c1ccc(-c2ncc3c(C(C)(C)C)cccc3c2F)cn1.Cc1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)s1.Cn1cc(-c2cc3cncc(C(C)(C)C)c3cc2C(F)F)cn1.Cn1cc(-c2ccc3c(c2)CCC=C3C(C)(C)C)cn1.Cn1cc(N2CCCc3c(cccc3C(C)(C)C)C2)cn1.Cn1cc(N2CCc3c(cccc3C(C)(C)C)C2)cn1.
What is the InChIKey of 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole?
The InChIKey is USDORXULBFLUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O.C18H19F2N3.C18H25N3.C18H22N2.C17H23N3.C17H18N2S.C16H17N3.C12H14N2O2/c1-20(2,3)15-7-5-6-13-14(15)11-24-18(17(13)21)12-8-9-16(23-10-12)19(25)22-4;1-18(2,3)16-9-21-7-11-5-13(12-8-22-23(4)10-12)15(17(19)20)6-14(11)16;1-18(2,3)17-9-5-7-14-12-21(10-6-8-16(14)17)15-11-19-20(4)13-15;1-18(2,3)17-7-5-6-14-10-13(8-9-16(14)17)15-11-19-20(4)12-15;1-17(2,3)16-7-5-6-13-11-20(9-8-15(13)16)14-10-18-19(4)12-14;1-11-18-10-16(20-11)15-8-12-6-5-7-14(17(2,3)4)13(12)9-19-15;1-16(2,3)12-7-4-8-13-14(12)19-15(18-13)11-6-5-9-17-10-11;1-12(2,3)8-5-4-6-14-7-9(11(15)16)13-10(8)14/h5-11H,1-4H3,(H,22,25);5-10,17H,1-4H3;5,7,9,11,13H,6,8,10,12H2,1-4H3;7-12H,5-6H2,1-4H3;5-7,10,12H,8-9,11H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3,(H,18,19);4-7H,1-3H3,(H,15,16).
What are the key properties of 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole?
4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole has a molecular weight of 2223.96 g/mol, XLogP of 31.59, 10 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole is sourced from PubChem (CID 161178660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).