8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine

C167H199N23O2 — CID 157140414

IUPAC8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine
SMILESC=Cc1cc(C(C)(C)C)c2cnccc2c1.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc(CO)cc2ccncc12.CCc1cc(C(C)(C)C)c2cnccc2c1.Cc1cc(C(C)(C)C)c2cnccc2c1.Cc1cc2cc(-c3cnn(C)c3)ncc2n1C(C)C.Cc1ccc(C(C)(C)C)c2cnc(-c3cnn(C)c3)cc12.Cn1cc(-c2cc3cccc(C(C)(C)C)c3cn2)c(C#N)n1.Cn1cc(-c2ccc3c(C(C)(C)C)c[nH]c3c2)cn1.Cn1cc(C(C)(C)C)c2ccccc21.Cn1cc(N2CCc3c(cccc3C(C)(C)C)C2=O)cn1
InChIInChI=1S/C18H18N4.C18H21N3.C17H21N3O.C16H19N3.C15H18N4.C15H19N.C15H17N.C14H17NO.C14H17N.C13H17N.C12H15N/c1-18(2,3)15-7-5-6-12-8-16(20-10-13(12)15)14-11-22(4)21-17(14)9-19;1-12-6-7-16(18(2,3)4)15-10-19-17(8-14(12)15)13-9-20-21(5)11-13;1-17(2,3)15-7-5-6-14-13(15)8-9-20(16(14)21)12-10-18-19(4)11-12;1-16(2,3)14-9-17-15-7-11(5-6-13(14)15)12-8-18-19(4)10-12;1-10(2)19-11(3)5-12-6-14(16-8-15(12)19)13-7-17-18(4)9-13;2*1-5-11-8-12-6-7-16-10-13(12)14(9-11)15(2,3)4;1-14(2,3)13-7-10(9-16)6-11-4-5-15-8-12(11)13;1-10-7-11-5-6-15-9-12(11)13(8-10)14(2,3)4;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11/h5-8,10-11H,1-4H3;6-11H,1-5H3;5-7,10-11H,8-9H2,1-4H3;5-10,17H,1-4H3;5-10H,1-4H3;6-10H,5H2,1-4H3;5-10H,1H2,2-4H3;4-8,16H,9H2,1-3H3;5-9H,1-4H3;5-9H,1-4H3;4-8,13H,1-3H3
InChIKeyAKCXEOLZSCJASH-UHFFFAOYSA-N
MW2560.59 g/mol
LogP40.23
Rot. Bonds9

About 8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine

8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine (PubChem CID 157140414) has the molecular formula C167H199N23O2 and a molecular weight of 2560.59 g/mol. Its IUPAC name is 8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine
PubChem CID157140414
Molecular FormulaC167H199N23O2
Molecular Weight2560.59 g/mol
Exact Mass2558.62
IUPAC Name8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine
SMILESC=Cc1cc(C(C)(C)C)c2cnccc2c1.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc(CO)cc2ccncc12.CCc1cc(C(C)(C)C)c2cnccc2c1.Cc1cc(C(C)(C)C)c2cnccc2c1.Cc1cc2cc(-c3cnn(C)c3)ncc2n1C(C)C.Cc1ccc(C(C)(C)C)c2cnc(-c3cnn(C)c3)cc12.Cn1cc(-c2cc3cccc(C(C)(C)C)c3cn2)c(C#N)n1.Cn1cc(-c2ccc3c(C(C)(C)C)c[nH]c3c2)cn1.Cn1cc(C(C)(C)C)c2ccccc21.Cn1cc(N2CCc3c(cccc3C(C)(C)C)C2=O)cn1
InChIInChI=1S/C18H18N4.C18H21N3.C17H21N3O.C16H19N3.C15H18N4.C15H19N.C15H17N.C14H17NO.C14H17N.C13H17N.C12H15N/c1-18(2,3)15-7-5-6-12-8-16(20-10-13(12)15)14-11-22(4)21-17(14)9-19;1-12-6-7-16(18(2,3)4)15-10-19-17(8-14(12)15)13-9-20-21(5)11-13;1-17(2,3)15-7-5-6-14-13(15)8-9-20(16(14)21)12-10-18-19(4)11-12;1-16(2,3)14-9-17-15-7-11(5-6-13(14)15)12-8-18-19(4)10-12;1-10(2)19-11(3)5-12-6-14(16-8-15(12)19)13-7-17-18(4)9-13;2*1-5-11-8-12-6-7-16-10-13(12)14(9-11)15(2,3)4;1-14(2,3)13-7-10(9-16)6-11-4-5-15-8-12(11)13;1-10-7-11-5-6-15-9-12(11)13(8-10)14(2,3)4;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11/h5-8,10-11H,1-4H3;6-11H,1-5H3;5-7,10-11H,8-9H2,1-4H3;5-10,17H,1-4H3;5-10H,1-4H3;6-10H,5H2,1-4H3;5-10H,1H2,2-4H3;4-8,16H,9H2,1-3H3;5-9H,1-4H3;5-9H,1-4H3;4-8,13H,1-3H3
InChIKeyAKCXEOLZSCJASH-UHFFFAOYSA-N
XLogP40.23
TPSA285.10 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002560.59
LogP ≤ 540.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

6-(1H-inden-5-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(1H-indol-6-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(3-methylphenyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(4-methylphenyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-phenylpyridine-2-carboxamide
CID 157822951
4-[2-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;[4-[[3-[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]pyrazol-1-yl]methyl]cyclohexyl]methanol;[1-[3-(dimethylamino)propyl]indol-5-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;N,N-dimethyl-3-[5-[1-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]pyrazol-3-yl]indol-1-yl]propan-1-amine
CID 158153781
4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone
CID 158388142
CID 158550497
CID 158550497
sodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide
CID 158824967
1-tert-butyl-6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indole;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;1-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridine;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-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole;2,2-dimethyl-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-1-one
CID 159504981
10-(1-Azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one
CID 159643590
5-[(4-acetylphenyl)methyl]-N-benzyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[[7-(1-methoxyethenyl)-1H-indol-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-(phenanthren-9-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 159819345
8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;bis(3-tert-butyl-1H-indole);(8-tert-butylisoquinolin-6-yl)methanol;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole
CID 159947946
1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide
CID 159987634
4-amino-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[3-(hydroxymethyl)anilino]quinoline-3-carboxamide;6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide
CID 160180585
8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole
CID 160878255

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine?
The IUPAC name of 8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine (CID 157140414) is 8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine is C=Cc1cc(C(C)(C)C)c2cnccc2c1.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc(CO)cc2ccncc12.CCc1cc(C(C)(C)C)c2cnccc2c1.Cc1cc(C(C)(C)C)c2cnccc2c1.Cc1cc2cc(-c3cnn(C)c3)ncc2n1C(C)C.Cc1ccc(C(C)(C)C)c2cnc(-c3cnn(C)c3)cc12.Cn1cc(-c2cc3cccc(C(C)(C)C)c3cn2)c(C#N)n1.Cn1cc(-c2ccc3c(C(C)(C)C)c[nH]c3c2)cn1.Cn1cc(C(C)(C)C)c2ccccc21.Cn1cc(N2CCc3c(cccc3C(C)(C)C)C2=O)cn1.
What is the InChIKey of 8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine?
The InChIKey is AKCXEOLZSCJASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4.C18H21N3.C17H21N3O.C16H19N3.C15H18N4.C15H19N.C15H17N.C14H17NO.C14H17N.C13H17N.C12H15N/c1-18(2,3)15-7-5-6-12-8-16(20-10-13(12)15)14-11-22(4)21-17(14)9-19;1-12-6-7-16(18(2,3)4)15-10-19-17(8-14(12)15)13-9-20-21(5)11-13;1-17(2,3)15-7-5-6-14-13(15)8-9-20(16(14)21)12-10-18-19(4)11-12;1-16(2,3)14-9-17-15-7-11(5-6-13(14)15)12-8-18-19(4)10-12;1-10(2)19-11(3)5-12-6-14(16-8-15(12)19)13-7-17-18(4)9-13;2*1-5-11-8-12-6-7-16-10-13(12)14(9-11)15(2,3)4;1-14(2,3)13-7-10(9-16)6-11-4-5-15-8-12(11)13;1-10-7-11-5-6-15-9-12(11)13(8-10)14(2,3)4;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11/h5-8,10-11H,1-4H3;6-11H,1-5H3;5-7,10-11H,8-9H2,1-4H3;5-10,17H,1-4H3;5-10H,1-4H3;6-10H,5H2,1-4H3;5-10H,1H2,2-4H3;4-8,16H,9H2,1-3H3;5-9H,1-4H3;5-9H,1-4H3;4-8,13H,1-3H3.
What are the key properties of 8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine?
8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine has a molecular weight of 2560.59 g/mol, XLogP of 40.23, 9 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 157140414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).