8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene

C180H202F7N23O6 — CID 160745928

IUPAC8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene
SMILESCC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1cccc2c1CC(=O)NC2.CC(C)(C)c1cccc2cc(N3C[C@@H](F)[C@@H](F)C3)ncc12.CC1(C)CCN(c2cc3cccc(C(C)(C)C)c3cn2)C1.CCC(=O)c1ccc(-c2cc3ccc(F)c(C(C)(C)C)c3cn2)cn1.CNC(=O)c1ccc(-c2cc3cccc(C(C)(C)C)c3cn2)cn1.CNC(=O)c1ccc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1.Cn1cc(-c2cc3cccc(C(C)(C)C)c3cn2)c(C(F)F)n1.Cn1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)c1C#N.Cn1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)c1C(F)F
InChIInChI=1S/C21H21FN2O.C20H23N3O2.C20H21N3O.C19H26N2.2C18H19F2N3.C18H18N4.C17H20F2N2.C16H18O.C13H17NO/c1-5-19(25)17-9-7-14(11-23-17)18-10-13-6-8-16(22)20(21(2,3)4)15(13)12-24-18;1-20(2,3)16-7-5-6-13-12-23(18(24)10-15(13)16)14-8-9-17(22-11-14)19(25)21-4;1-20(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;1-18(2,3)16-8-6-7-14-11-17(20-12-15(14)16)21-10-9-19(4,5)13-21;1-18(2,3)14-7-5-6-11-8-15(21-9-12(11)14)13-10-23(4)22-16(13)17(19)20;1-18(2,3)14-7-5-6-11-8-15(21-9-12(11)14)13-10-22-23(4)16(13)17(19)20;1-18(2,3)15-7-5-6-12-8-16(20-10-13(12)15)14-11-21-22(4)17(14)9-19;1-17(2,3)13-6-4-5-11-7-16(20-8-12(11)13)21-9-14(18)15(19)10-21;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-13(2,3)11-6-4-5-9-8-14-12(15)7-10(9)11/h6-12H,5H2,1-4H3;5-9,11H,10,12H2,1-4H3,(H,21,25);5-12H,1-4H3,(H,21,24);6-8,11-12H,9-10,13H2,1-5H3;2*5-10,17H,1-4H3;5-8,10-11H,1-4H3;4-8,14-15H,9-10H2,1-3H3;4-12H,1-3H3;4-6H,7-8H2,1-3H3,(H,14,15)/t;;;;;;;14-,15+;;
InChIKeyRWENSOFOUKCOEI-DRAZYMDFSA-N
MW2916.74 g/mol
LogP41.38
Rot. Bonds16

About 8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene

8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene (PubChem CID 160745928) has the molecular formula C180H202F7N23O6 and a molecular weight of 2916.74 g/mol. Its IUPAC name is 8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene.

Molecular Properties

Compound Name8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene
PubChem CID160745928
Molecular FormulaC180H202F7N23O6
Molecular Weight2916.74 g/mol
Exact Mass2914.61
IUPAC Name8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene
SMILESCC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1cccc2c1CC(=O)NC2.CC(C)(C)c1cccc2cc(N3C[C@@H](F)[C@@H](F)C3)ncc12.CC1(C)CCN(c2cc3cccc(C(C)(C)C)c3cn2)C1.CCC(=O)c1ccc(-c2cc3ccc(F)c(C(C)(C)C)c3cn2)cn1.CNC(=O)c1ccc(-c2cc3cccc(C(C)(C)C)c3cn2)cn1.CNC(=O)c1ccc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1.Cn1cc(-c2cc3cccc(C(C)(C)C)c3cn2)c(C(F)F)n1.Cn1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)c1C#N.Cn1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)c1C(F)F
InChIInChI=1S/C21H21FN2O.C20H23N3O2.C20H21N3O.C19H26N2.2C18H19F2N3.C18H18N4.C17H20F2N2.C16H18O.C13H17NO/c1-5-19(25)17-9-7-14(11-23-17)18-10-13-6-8-16(22)20(21(2,3)4)15(13)12-24-18;1-20(2,3)16-7-5-6-13-12-23(18(24)10-15(13)16)14-8-9-17(22-11-14)19(25)21-4;1-20(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;1-18(2,3)16-8-6-7-14-11-17(20-12-15(14)16)21-10-9-19(4,5)13-21;1-18(2,3)14-7-5-6-11-8-15(21-9-12(11)14)13-10-23(4)22-16(13)17(19)20;1-18(2,3)14-7-5-6-11-8-15(21-9-12(11)14)13-10-22-23(4)16(13)17(19)20;1-18(2,3)15-7-5-6-12-8-16(20-10-13(12)15)14-11-21-22(4)17(14)9-19;1-17(2,3)13-6-4-5-11-7-16(20-8-12(11)13)21-9-14(18)15(19)10-21;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-13(2,3)11-6-4-5-9-8-14-12(15)7-10(9)11/h6-12H,5H2,1-4H3;5-9,11H,10,12H2,1-4H3,(H,21,25);5-12H,1-4H3,(H,21,24);6-8,11-12H,9-10,13H2,1-5H3;2*5-10,17H,1-4H3;5-8,10-11H,1-4H3;4-8,14-15H,9-10H2,1-3H3;4-12H,1-3H3;4-6H,7-8H2,1-3H3,(H,14,15)/t;;;;;;;14-,15+;;
InChIKeyRWENSOFOUKCOEI-DRAZYMDFSA-N
XLogP41.38
TPSA346.54 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002916.74
LogP ≤ 541.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene with MolForge

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Related Compounds

(3S)-7-[9-[2-[(6R)-24-amino-19-cyano-9-fluoro-14-methyl-13-oxo-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16(20),18,21,23-octaen-17-yl]ethylamino]-9-oxononoxy]-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 146476775
(3S)-7-[9-[2-[(6R)-24-amino-19-cyano-9-fluoro-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethylamino]-9-oxononoxy]-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 146476957
(3S)-7-[9-[2-[(6R)-24-amino-19-cyano-9-fluoro-14-methyl-13-oxo-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaen-18-yl]ethylamino]-9-oxononoxy]-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 146476974
(3S)-7-[9-[2-[(6R)-24-amino-19-cyano-9-fluoro-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16(20),18,21(25),22-octaen-17-yl]ethylamino]-9-oxononoxy]-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 146477148
N-[6-amino-3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoroquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 157214201
6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(quinolin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-5-[(3,4-difluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-5-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxo-5-(4,4,4-trifluorobutyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 157215728
N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;3-cyano-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-naphthalen-2-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]cyclohexanecarboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohexanecarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 157657360
6-[(3R)-3-aminopiperidin-1-yl]-5-[(3,4-difluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-5-[(3,4-difluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-3-(isoquinolin-1-ylmethyl)-5-(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxo-5-(4,4,4-trifluorobutyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxo-5-[(2,4,5-trifluorophenyl)methyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 157848012
CID 157881525
CID 157881525
7-[(2-Chloropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-cyanopyridazin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]quinoline-2-carboxamide;7-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 157923772
N-[(1S)-1-[8-[1-(cyanomethyl)pyrazol-4-yl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-(5-fluoro-2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157981914
5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 158047772

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene?
The IUPAC name of 8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene (CID 160745928) is 8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene.
What is the SMILES notation for 8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene?
The canonical SMILES for 8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene is CC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1cccc2c1CC(=O)NC2.CC(C)(C)c1cccc2cc(N3C[C@@H](F)[C@@H](F)C3)ncc12.CC1(C)CCN(c2cc3cccc(C(C)(C)C)c3cn2)C1.CCC(=O)c1ccc(-c2cc3ccc(F)c(C(C)(C)C)c3cn2)cn1.CNC(=O)c1ccc(-c2cc3cccc(C(C)(C)C)c3cn2)cn1.CNC(=O)c1ccc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1.Cn1cc(-c2cc3cccc(C(C)(C)C)c3cn2)c(C(F)F)n1.Cn1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)c1C#N.Cn1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)c1C(F)F.
What is the InChIKey of 8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene?
The InChIKey is RWENSOFOUKCOEI-DRAZYMDFSA-N. The full InChI is InChI=1S/C21H21FN2O.C20H23N3O2.C20H21N3O.C19H26N2.2C18H19F2N3.C18H18N4.C17H20F2N2.C16H18O.C13H17NO/c1-5-19(25)17-9-7-14(11-23-17)18-10-13-6-8-16(22)20(21(2,3)4)15(13)12-24-18;1-20(2,3)16-7-5-6-13-12-23(18(24)10-15(13)16)14-8-9-17(22-11-14)19(25)21-4;1-20(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;1-18(2,3)16-8-6-7-14-11-17(20-12-15(14)16)21-10-9-19(4,5)13-21;1-18(2,3)14-7-5-6-11-8-15(21-9-12(11)14)13-10-23(4)22-16(13)17(19)20;1-18(2,3)14-7-5-6-11-8-15(21-9-12(11)14)13-10-22-23(4)16(13)17(19)20;1-18(2,3)15-7-5-6-12-8-16(20-10-13(12)15)14-11-21-22(4)17(14)9-19;1-17(2,3)13-6-4-5-11-7-16(20-8-12(11)13)21-9-14(18)15(19)10-21;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-13(2,3)11-6-4-5-9-8-14-12(15)7-10(9)11/h6-12H,5H2,1-4H3;5-9,11H,10,12H2,1-4H3,(H,21,25);5-12H,1-4H3,(H,21,24);6-8,11-12H,9-10,13H2,1-5H3;2*5-10,17H,1-4H3;5-8,10-11H,1-4H3;4-8,14-15H,9-10H2,1-3H3;4-12H,1-3H3;4-6H,7-8H2,1-3H3,(H,14,15)/t;;;;;;;14-,15+;;.
What are the key properties of 8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene?
8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene has a molecular weight of 2916.74 g/mol, XLogP of 41.38, 16 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-5-carbonitrile;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;5-(5-tert-butyl-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-methylpyridine-2-carboxamide;1-tert-butyl-3-phenoxybenzene is sourced from PubChem (CID 160745928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).