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

C152H186N22O5S — CID 164971106

IUPAC4-(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
SMILESCC(C)(C)c1cccc2[nH]c(-c3cccnc3)nc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccn2cc(C(=O)O)nc12.CC1Cc2c(cccc2C(C)(C)C)CN1c1cnn(C)c1.COC(=O)c1cc(C(C)(C)C)c2cc[nH]c2c1.Cc1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)s1.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/C18H25N3.C18H22N2.C17H21N3O.C17H23N3.C17H18N2S.C16H17N3.C14H17NO2.C12H14N2O2.C12H15N.C11H14N2/c1-13-9-16-14(7-6-8-17(16)18(2,3)4)11-21(13)15-10-19-20(5)12-15;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)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;1-11-18-10-16(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;1-14(2,3)11-7-9(13(16)17-4)8-12-10(11)5-6-15-12;1-12(2,3)8-5-4-6-14-7-9(11(15)16)13-10(8)14;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10/h6-8,10,12-13H,9,11H2,1-5H3;7-12H,5-6H2,1-4H3;5-7,9,11H,8,10H2,1-4H3;5-7,10,12H,8-9,11H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3,(H,18,19);5-8,15H,1-4H3;4-7H,1-3H3,(H,15,16);4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeyDDCLYQDRHZABRB-UHFFFAOYSA-N
MW2433.38 g/mol
LogP35.01
Rot. Bonds8

About 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

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 (PubChem CID 164971106) has the molecular formula C152H186N22O5S and a molecular weight of 2433.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID164971106
Molecular FormulaC152H186N22O5S
Molecular Weight2433.38 g/mol
Exact Mass2431.47
IUPAC Name4-(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
SMILESCC(C)(C)c1cccc2[nH]c(-c3cccnc3)nc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccn2cc(C(=O)O)nc12.CC1Cc2c(cccc2C(C)(C)C)CN1c1cnn(C)c1.COC(=O)c1cc(C(C)(C)C)c2cc[nH]c2c1.Cc1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)s1.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/C18H25N3.C18H22N2.C17H21N3O.C17H23N3.C17H18N2S.C16H17N3.C14H17NO2.C12H14N2O2.C12H15N.C11H14N2/c1-13-9-16-14(7-6-8-17(16)18(2,3)4)11-21(13)15-10-19-20(5)12-15;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)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;1-11-18-10-16(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;1-14(2,3)11-7-9(13(16)17-4)8-12-10(11)5-6-15-12;1-12(2,3)8-5-4-6-14-7-9(11(15)16)13-10(8)14;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10/h6-8,10,12-13H,9,11H2,1-5H3;7-12H,5-6H2,1-4H3;5-7,9,11H,8,10H2,1-4H3;5-7,10,12H,8-9,11H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3,(H,18,19);5-8,15H,1-4H3;4-7H,1-3H3,(H,15,16);4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeyDDCLYQDRHZABRB-UHFFFAOYSA-N
XLogP35.01
TPSA306.58 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002433.38
LogP ≤ 535.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Related Compounds

methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 158027091
Acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);ethane;1-fluoro-4-methylbenzene;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;1-methylbenzimidazole;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;4-methylpyridazine;2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;1-methylpyridin-2-one;2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;toluene;tris(1,4-xylene)
CID 169426320
3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 157053137
N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 157423914
6-[7-(1,3-benzothiazol-2-ylcarbamoyl)-1H-indol-2-yl]-3-[1-[[3,5-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[4-(1,3-benzothiazol-2-ylcarbamoyl)isoquinolin-6-yl]-3-[1-[[3,5-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-6-[3-(methylamino)propyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3,5-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[4-(1,3-benzothiazol-2-ylcarbamoyl)-2-oxidoisoquinolin-2-ium-6-yl]-3-[1-[[3,5-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid
CID 157650909
2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-propan-2-yl-1H-imidazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid
CID 157715606
CID 157746486
CID 157746486
4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxamide;4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinoline-8-carboxylic acid;N-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylquinolin-8-yl]acetamide;(3S,4S)-8-[8-(2-aminoquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[8-(1,2,4-triazol-1-yl)quinolin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 158020105
6-[1-(1,3-benzothiazol-2-ylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-[1-[[3,5-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-5-fluoronaphthalen-2-yl]-3-[1-[[3,5-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[7-(1,3-benzothiazol-2-ylcarbamoyl)-1H-indol-2-yl]-3-[1-[[3,5-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[4-(1,3-benzothiazol-2-ylcarbamoyl)quinolin-6-yl]-3-[1-[[3,5-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[5-(1,3-benzothiazol-2-ylcarbamoyl)quinolin-3-yl]-3-[1-[[3,5-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid
CID 158183088
CID 158305647
CID 158305647
4-tert-butyl-7-chloro-1H-indole;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;4-tert-butyl-6-methoxy-1H-indole;4-tert-butyl-7-methyl-1H-indole;6-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 158383924
3-amino-6-(7-chloro-3H-benzimidazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrrol-3-yl)-N-[(2-oxopiperidin-1-yl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-6-(8-methylquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylimidazol-4-yl)pyrazine-2-carbonyl]amino]methyl]benzoate
CID 158585047

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cccc2[nH]c(-c3cccnc3)nc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccn2cc(C(=O)O)nc12.CC1Cc2c(cccc2C(C)(C)C)CN1c1cnn(C)c1.COC(=O)c1cc(C(C)(C)C)c2cc[nH]c2c1.Cc1ncc(-c2cc3cccc(C(C)(C)C)c3cn2)s1.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 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?
The InChIKey is DDCLYQDRHZABRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3.C18H22N2.C17H21N3O.C17H23N3.C17H18N2S.C16H17N3.C14H17NO2.C12H14N2O2.C12H15N.C11H14N2/c1-13-9-16-14(7-6-8-17(16)18(2,3)4)11-21(13)15-10-19-20(5)12-15;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)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;1-11-18-10-16(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;1-14(2,3)11-7-9(13(16)17-4)8-12-10(11)5-6-15-12;1-12(2,3)8-5-4-6-14-7-9(11(15)16)13-10(8)14;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10/h6-8,10,12-13H,9,11H2,1-5H3;7-12H,5-6H2,1-4H3;5-7,9,11H,8,10H2,1-4H3;5-7,10,12H,8-9,11H2,1-4H3;5-10H,1-4H3;4-10H,1-3H3,(H,18,19);5-8,15H,1-4H3;4-7H,1-3H3,(H,15,16);4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13).
What are the key properties of 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?
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 has a molecular weight of 2433.38 g/mol, XLogP of 35.01, 8 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164971106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).