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

C155H190F2N26O2 — CID 159504981

IUPAC1-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
SMILESCC1Cc2c(cccc2C(C)(C)C)CN1c1cnn(C)c1.Cc1cc2cc(-c3cnn(C)c3)c(C#N)cc2n1C(C)(C)C.Cc1cc2cc(-c3cnn(C)c3)c(C(F)F)cc2n1C(C)(C)C.Cc1cc2cc(-c3cnn(C)c3)ncc2n1C(C)(C)C.Cn1cc(-c2ccc(C(=O)C(C)(C)C)cc2)cn1.Cn1cc(-c2ccc3c(C(C)(C)C)cccc3c2)cn1.Cn1cc(-c2ccc3c(c2)CCC=C3C(C)(C)C)cn1.Cn1cc(N2CCc3c(cccc3C(C)(C)C)C2)cn1.Cn1cc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1
InChIInChI=1S/C18H21F2N3.C18H20N4.C18H25N3.C18H22N2.C18H20N2.C17H21N3O.C17H23N3.C16H20N4.C15H18N2O/c1-11-6-12-7-14(13-9-21-22(5)10-13)15(17(19)20)8-16(12)23(11)18(2,3)4;1-12-6-13-7-16(15-10-20-21(5)11-15)14(9-19)8-17(13)22(12)18(2,3)4;1-13-9-16-14(7-6-8-17(16)18(2,3)4)11-21(13)15-10-19-20(5)12-15;2*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)15-7-5-6-12-10-20(16(21)8-14(12)15)13-9-18-19(4)11-13;1-17(2,3)16-7-5-6-13-11-20(9-8-15(13)16)14-10-18-19(4)12-14;1-11-6-12-7-14(13-8-18-19(5)10-13)17-9-15(12)20(11)16(2,3)4;1-15(2,3)14(18)12-7-5-11(6-8-12)13-9-16-17(4)10-13/h6-10,17H,1-5H3;6-8,10-11H,1-5H3;6-8,10,12-13H,9,11H2,1-5H3;7-12H,5-6H2,1-4H3;5-12H,1-4H3;5-7,9,11H,8,10H2,1-4H3;5-7,10,12H,8-9,11H2,1-4H3;6-10H,1-5H3;5-10H,1-4H3
InChIKeyLZWGYAIHUCIMQI-UHFFFAOYSA-N
MW2487.40 g/mol
LogP34.59
Rot. Bonds11

About 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

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 (PubChem CID 159504981) has the molecular formula C155H190F2N26O2 and a molecular weight of 2487.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159504981
Molecular FormulaC155H190F2N26O2
Molecular Weight2487.40 g/mol
Exact Mass2485.55
IUPAC Name1-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
SMILESCC1Cc2c(cccc2C(C)(C)C)CN1c1cnn(C)c1.Cc1cc2cc(-c3cnn(C)c3)c(C#N)cc2n1C(C)(C)C.Cc1cc2cc(-c3cnn(C)c3)c(C(F)F)cc2n1C(C)(C)C.Cc1cc2cc(-c3cnn(C)c3)ncc2n1C(C)(C)C.Cn1cc(-c2ccc(C(=O)C(C)(C)C)cc2)cn1.Cn1cc(-c2ccc3c(C(C)(C)C)cccc3c2)cn1.Cn1cc(-c2ccc3c(c2)CCC=C3C(C)(C)C)cn1.Cn1cc(N2CCc3c(cccc3C(C)(C)C)C2)cn1.Cn1cc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1
InChIInChI=1S/C18H21F2N3.C18H20N4.C18H25N3.C18H22N2.C18H20N2.C17H21N3O.C17H23N3.C16H20N4.C15H18N2O/c1-11-6-12-7-14(13-9-21-22(5)10-13)15(17(19)20)8-16(12)23(11)18(2,3)4;1-12-6-13-7-16(15-10-20-21(5)11-15)14(9-19)8-17(13)22(12)18(2,3)4;1-13-9-16-14(7-6-8-17(16)18(2,3)4)11-21(13)15-10-19-20(5)12-15;2*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)15-7-5-6-12-10-20(16(21)8-14(12)15)13-9-18-19(4)11-13;1-17(2,3)16-7-5-6-13-11-20(9-8-15(13)16)14-10-18-19(4)12-14;1-11-6-12-7-14(13-8-18-19(5)10-13)17-9-15(12)20(11)16(2,3)4;1-15(2,3)14(18)12-7-5-11(6-8-12)13-9-16-17(4)10-13/h6-10,17H,1-5H3;6-8,10-11H,1-5H3;6-8,10,12-13H,9,11H2,1-5H3;7-12H,5-6H2,1-4H3;5-12H,1-4H3;5-7,9,11H,8,10H2,1-4H3;5-7,10,12H,8-9,11H2,1-4H3;6-10H,1-5H3;5-10H,1-4H3
InChIKeyLZWGYAIHUCIMQI-UHFFFAOYSA-N
XLogP34.59
TPSA255.71 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds11
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002487.40
LogP ≤ 534.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 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 with MolForge

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Related Compounds

3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile
CID 129301814
5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[5,6-dimethyl-3-(trifluoromethyl)indazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[5,6-dimethyl-3-(trifluoromethyl)indazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157314839
2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 157467989
5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-5-[3-(1-methylimidazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 157565495
6,7-difluoro-1-[1-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[5,4-f]quinoline-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[4,5-h]quinoline-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[5,4-f]quinoline-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[4,5-h]quinoline-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyrazin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
CID 157848137
2-(3-acetyl-2-methylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylindazol-1-yl)pentan-2-one;5-[2-[(1S)-1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157863488
1-(4-fluoro-3,5-dimethylphenyl)-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-isocyano-3H-indol-2-one;1-[1-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one
CID 157963030
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-4-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 158345019
N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 158350258
8-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-2-methylpiperidin-4-yl]-3H-indol-2-one;1-[4-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperazin-1-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one
CID 158389112
2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 158460730
1-(4-fluoro-3,5-dimethylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-2,6-dimethylpiperidin-4-yl]-6-methyl-3H-indol-2-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1'-(4-methylphenyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-pyrrolidine]-3'-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one
CID 158510023

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1Cc2c(cccc2C(C)(C)C)CN1c1cnn(C)c1.Cc1cc2cc(-c3cnn(C)c3)c(C#N)cc2n1C(C)(C)C.Cc1cc2cc(-c3cnn(C)c3)c(C(F)F)cc2n1C(C)(C)C.Cc1cc2cc(-c3cnn(C)c3)ncc2n1C(C)(C)C.Cn1cc(-c2ccc(C(=O)C(C)(C)C)cc2)cn1.Cn1cc(-c2ccc3c(C(C)(C)C)cccc3c2)cn1.Cn1cc(-c2ccc3c(c2)CCC=C3C(C)(C)C)cn1.Cn1cc(N2CCc3c(cccc3C(C)(C)C)C2)cn1.Cn1cc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1.
What is the InChIKey of 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?
The InChIKey is LZWGYAIHUCIMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3.C18H20N4.C18H25N3.C18H22N2.C18H20N2.C17H21N3O.C17H23N3.C16H20N4.C15H18N2O/c1-11-6-12-7-14(13-9-21-22(5)10-13)15(17(19)20)8-16(12)23(11)18(2,3)4;1-12-6-13-7-16(15-10-20-21(5)11-15)14(9-19)8-17(13)22(12)18(2,3)4;1-13-9-16-14(7-6-8-17(16)18(2,3)4)11-21(13)15-10-19-20(5)12-15;2*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)15-7-5-6-12-10-20(16(21)8-14(12)15)13-9-18-19(4)11-13;1-17(2,3)16-7-5-6-13-11-20(9-8-15(13)16)14-10-18-19(4)12-14;1-11-6-12-7-14(13-8-18-19(5)10-13)17-9-15(12)20(11)16(2,3)4;1-15(2,3)14(18)12-7-5-11(6-8-12)13-9-16-17(4)10-13/h6-10,17H,1-5H3;6-8,10-11H,1-5H3;6-8,10,12-13H,9,11H2,1-5H3;7-12H,5-6H2,1-4H3;5-12H,1-4H3;5-7,9,11H,8,10H2,1-4H3;5-7,10,12H,8-9,11H2,1-4H3;6-10H,1-5H3;5-10H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2487.40 g/mol, XLogP of 34.59, 11 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159504981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).