6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline

C208H277Cl3N24O5 — CID 163910853

IUPAC6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline
SMILESCC(C)(C)N1CCCc2nc(N3CCNCC3)ccc21.CC(C)(C)N1CCCn2nccc21.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1Cl)OCC2.CC(C)(C)c1ccc2c(c1Cl)OCCC2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1cccc2[nH]c(=O)[nH]c12.CC(C)(C)c1cccc2c1C(=O)NC2.CC(C)(C)c1cccc2c1NC(=O)C2.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)n1ccc2cccc(Cl)c21.C[C@@H]1CCc2ncccc2N1C(C)(C)C.C[C@@H]1c2ccccc2CN1C(C)(C)C.Cn1c(C(C)(C)C)cc2ccccc21
InChIInChI=1S/C16H26N4.C13H17ClO.C13H20N2.C13H17N.C13H19N.C13H15N.C12H14ClN.C12H15ClO.2C12H15NO.3C12H15N.C11H14N2O.2C11H14N2.C10H17N3/c1-16(2,3)20-10-4-5-13-14(20)6-7-15(18-13)19-11-8-17-9-12-19;1-13(2,3)10-7-6-9-5-4-8-15-12(9)11(10)14;1-10-7-8-11-12(6-5-9-14-11)15(10)13(2,3)4;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-10-12-8-6-5-7-11(12)9-14(10)13(2,3)4;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)14-8-7-9-5-4-6-10(13)11(9)14;1-12(2,3)9-5-4-8-6-7-14-11(8)10(9)13;1-12(2,3)9-6-4-5-8-7-13-11(14)10(8)9;1-12(2,3)9-6-4-5-8-7-10(14)13-11(8)9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)7-5-4-6-8-9(7)13-10(14)12-8;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-10(2,3)12-7-4-8-13-9(12)5-6-11-13/h6-7,17H,4-5,8-12H2,1-3H3;6-7H,4-5,8H2,1-3H3;5-6,9-10H,7-8H2,1-4H3;5-9H,1-4H3;5-8,10H,9H2,1-4H3;4-9H,1-3H3;4-8H,1-3H3;4-5H,6-7H2,1-3H3;2*4-6H,7H2,1-3H3,(H,13,14);3*4-8,13H,1-3H3;4-6H,1-3H3,(H2,12,13,14);2*4-7H,1-3H3,(H,12,13);5-6H,4,7-8H2,1-3H3/t;;10-;;10-;;;;;;;;;;;;/m..1.1............/s1
InChIKeyQRYLUQUYSUKYHP-CDDHKDRUSA-N
MW3300.03 g/mol
LogP51.89
Rot. Bonds1

About 6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline

6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline (PubChem CID 163910853) has the molecular formula C208H277Cl3N24O5 and a molecular weight of 3300.03 g/mol. Its IUPAC name is 6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline.

Molecular Properties

Compound Name6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline
PubChem CID163910853
Molecular FormulaC208H277Cl3N24O5
Molecular Weight3300.03 g/mol
Exact Mass3296.12
IUPAC Name6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline
SMILESCC(C)(C)N1CCCc2nc(N3CCNCC3)ccc21.CC(C)(C)N1CCCn2nccc21.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1Cl)OCC2.CC(C)(C)c1ccc2c(c1Cl)OCCC2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1cccc2[nH]c(=O)[nH]c12.CC(C)(C)c1cccc2c1C(=O)NC2.CC(C)(C)c1cccc2c1NC(=O)C2.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)n1ccc2cccc(Cl)c21.C[C@@H]1CCc2ncccc2N1C(C)(C)C.C[C@@H]1c2ccccc2CN1C(C)(C)C.Cn1c(C(C)(C)C)cc2ccccc21
InChIInChI=1S/C16H26N4.C13H17ClO.C13H20N2.C13H17N.C13H19N.C13H15N.C12H14ClN.C12H15ClO.2C12H15NO.3C12H15N.C11H14N2O.2C11H14N2.C10H17N3/c1-16(2,3)20-10-4-5-13-14(20)6-7-15(18-13)19-11-8-17-9-12-19;1-13(2,3)10-7-6-9-5-4-8-15-12(9)11(10)14;1-10-7-8-11-12(6-5-9-14-11)15(10)13(2,3)4;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-10-12-8-6-5-7-11(12)9-14(10)13(2,3)4;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)14-8-7-9-5-4-6-10(13)11(9)14;1-12(2,3)9-5-4-8-6-7-14-11(8)10(9)13;1-12(2,3)9-6-4-5-8-7-13-11(14)10(8)9;1-12(2,3)9-6-4-5-8-7-10(14)13-11(8)9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)7-5-4-6-8-9(7)13-10(14)12-8;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-10(2,3)12-7-4-8-13-9(12)5-6-11-13/h6-7,17H,4-5,8-12H2,1-3H3;6-7H,4-5,8H2,1-3H3;5-6,9-10H,7-8H2,1-4H3;5-9H,1-4H3;5-8,10H,9H2,1-4H3;4-9H,1-3H3;4-8H,1-3H3;4-5H,6-7H2,1-3H3;2*4-6H,7H2,1-3H3,(H,13,14);3*4-8,13H,1-3H3;4-6H,1-3H3,(H2,12,13,14);2*4-7H,1-3H3,(H,12,13);5-6H,4,7-8H2,1-3H3/t;;10-;;10-;;;;;;;;;;;;/m..1.1............/s1
InChIKeyQRYLUQUYSUKYHP-CDDHKDRUSA-N
XLogP51.89
TPSA324.62 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds1
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003300.03
LogP ≤ 551.89
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole
CID 162055770
N-[(3-chlorophenyl)methyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-[2-(3-methoxyphenyl)ethyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-[(1-methylbenzimidazol-2-yl)methyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;2-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;N-[[(2S)-oxolan-2-yl]methyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 157269877
1-[3-[4-amino-6-chloro-5-[4-(3,4-dichlorophenoxy)-3-methylphenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]prop-2-en-1-one;4-[8-amino-3-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide;1-[(3R)-3-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;3-tert-butyl-N-[4-methyl-5-oxo-6-[3-(prop-2-enoylamino)anilino]pyrazin-2-yl]benzamide;N-[3-[5-chloro-2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[7-methyl-4-(2-methylphenyl)imino-2,3,3a,5-tetrahydro-1H-imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide;N-[3-[[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 158330363
2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate
CID 158851581
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene
CID 159286747
1,3-benzodioxol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-chloro-2-propan-2-yloxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-methyl-1H-indazol-7-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 159333715
1-[3-[4-amino-6-chloro-5-[4-(3-chloro-4-methylphenoxy)-3-methylphenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]prop-2-en-1-one;4-[8-amino-3-[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide;1-[(3R)-3-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;[4-[[4-[3-(buta-1,3-dien-2-ylamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]-morpholin-4-ylmethanone;3-tert-butyl-N-[4-methyl-5-oxo-6-[3-(prop-2-enoylamino)anilino]pyrazin-2-yl]benzamide;N-[3-[[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide
CID 159383603
(2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
CID 159388723
4-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)benzonitrile;N-[3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-4-methylphenyl]-3-chlorobenzamide;6-(2-chlorophenyl)-4-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine;8,8-dimethyl-5-phenyl-2,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-amine;5-(1H-indazol-4-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine;4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-methyl-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-phenyl-6-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 159627176
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;6-fluoro-7-methylisoquinolin-1-amine;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene
CID 160292130
1-[3-[4-amino-6-chloro-5-[4-(3-chloro-4-methylphenoxy)-3-methylphenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]prop-2-en-1-one;4-[8-amino-3-[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide;1-[(3R)-3-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;[4-[[4-[3-(buta-1,3-dien-2-ylamino)phenyl]-5-chloropyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;[4-[[4-[3-(buta-1,3-dien-2-ylamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]-morpholin-4-ylmethanone;3-tert-butyl-N-[4-methyl-5-oxo-6-[3-(prop-2-enoylamino)anilino]pyrazin-2-yl]benzamide;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide
CID 160746475
2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 161036921

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline?
The IUPAC name of 6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline (CID 163910853) is 6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline.
What is the SMILES notation for 6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline?
The canonical SMILES for 6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline is CC(C)(C)N1CCCc2nc(N3CCNCC3)ccc21.CC(C)(C)N1CCCn2nccc21.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1Cl)OCC2.CC(C)(C)c1ccc2c(c1Cl)OCCC2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1cccc2[nH]c(=O)[nH]c12.CC(C)(C)c1cccc2c1C(=O)NC2.CC(C)(C)c1cccc2c1NC(=O)C2.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)n1ccc2cccc(Cl)c21.C[C@@H]1CCc2ncccc2N1C(C)(C)C.C[C@@H]1c2ccccc2CN1C(C)(C)C.Cn1c(C(C)(C)C)cc2ccccc21.
What is the InChIKey of 6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline?
The InChIKey is QRYLUQUYSUKYHP-CDDHKDRUSA-N. The full InChI is InChI=1S/C16H26N4.C13H17ClO.C13H20N2.C13H17N.C13H19N.C13H15N.C12H14ClN.C12H15ClO.2C12H15NO.3C12H15N.C11H14N2O.2C11H14N2.C10H17N3/c1-16(2,3)20-10-4-5-13-14(20)6-7-15(18-13)19-11-8-17-9-12-19;1-13(2,3)10-7-6-9-5-4-8-15-12(9)11(10)14;1-10-7-8-11-12(6-5-9-14-11)15(10)13(2,3)4;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-10-12-8-6-5-7-11(12)9-14(10)13(2,3)4;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)14-8-7-9-5-4-6-10(13)11(9)14;1-12(2,3)9-5-4-8-6-7-14-11(8)10(9)13;1-12(2,3)9-6-4-5-8-7-13-11(14)10(8)9;1-12(2,3)9-6-4-5-8-7-10(14)13-11(8)9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)7-5-4-6-8-9(7)13-10(14)12-8;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-10(2,3)12-7-4-8-13-9(12)5-6-11-13/h6-7,17H,4-5,8-12H2,1-3H3;6-7H,4-5,8H2,1-3H3;5-6,9-10H,7-8H2,1-4H3;5-9H,1-4H3;5-8,10H,9H2,1-4H3;4-9H,1-3H3;4-8H,1-3H3;4-5H,6-7H2,1-3H3;2*4-6H,7H2,1-3H3,(H,13,14);3*4-8,13H,1-3H3;4-6H,1-3H3,(H2,12,13,14);2*4-7H,1-3H3,(H,12,13);5-6H,4,7-8H2,1-3H3/t;;10-;;10-;;;;;;;;;;;;/m..1.1............/s1.
What are the key properties of 6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline?
6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline has a molecular weight of 3300.03 g/mol, XLogP of 51.89, 1 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran;7-tert-butyl-8-chloro-3,4-dihydro-2H-chromene;1-tert-butyl-7-chloroindole;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;(1R)-2-tert-butyl-1-methyl-1,3-dihydroisoindole;(2R)-1-tert-butyl-2-methyl-3,4-dihydro-2H-1,5-naphthyridine;2-tert-butyl-1-methylindole;1-tert-butyl-6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline is sourced from PubChem (CID 163910853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).