tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone

C196H327FN20O14 — CID 157460150

IUPACtert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCN(C(=O)CO)CC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc(OCC(=O)O)cc1.CC(C)(C)c1ccc(OCCO)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)N1CCN(C)CC1.CC(C)c1ccc2cncn2c1.CCN(CC)c1ccc(C(C)(C)C)cc1.CCOc1ccc(C(C)(C)C)cc1.COC1CCN(C(C)C)C1.COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO.C14H23N.C12H16O3.C12H18O2.C12H18O.C11H16O.C10H13F.C10H20N2O2.C10H12N2.C10H14O.C10H14.C9H18N2O.2C8H18N2.2C8H17NO.C8H17N.C8H13N.2C7H12N2/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5;1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13;1-5-13-11-8-6-10(7-9-11)12(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)12-6-4-11(5-7-12)9(14)8-13;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)9-5-4-8(6-9)10-3;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9/h4-7H,8-11H2,1-3H3;8-11H,6-7H2,1-5H3;4-7H,8H2,1-3H3,(H,13,14);4-7,13H,8-9H2,1-3H3;6-9H,5H2,1-4H3;5-8H,1-4H3;4-7H,1-3H3;13H,4-8H2,1-3H3;3-8H,1-2H3;4-7,11H,1-3H3;4-8H,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyBTVBGNCZPAIJDP-UHFFFAOYSA-N
MW3206.90 g/mol
LogP40.53
Rot. Bonds19

About tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone

tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 157460150) has the molecular formula C196H327FN20O14 and a molecular weight of 3206.90 g/mol. Its IUPAC name is tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Nametert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID157460150
Molecular FormulaC196H327FN20O14
Molecular Weight3206.90 g/mol
Exact Mass3204.55
IUPAC Nametert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCN(C(=O)CO)CC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc(OCC(=O)O)cc1.CC(C)(C)c1ccc(OCCO)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)N1CCN(C)CC1.CC(C)c1ccc2cncn2c1.CCN(CC)c1ccc(C(C)(C)C)cc1.CCOc1ccc(C(C)(C)C)cc1.COC1CCN(C(C)C)C1.COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO.C14H23N.C12H16O3.C12H18O2.C12H18O.C11H16O.C10H13F.C10H20N2O2.C10H12N2.C10H14O.C10H14.C9H18N2O.2C8H18N2.2C8H17NO.C8H17N.C8H13N.2C7H12N2/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5;1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13;1-5-13-11-8-6-10(7-9-11)12(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)12-6-4-11(5-7-12)9(14)8-13;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)9-5-4-8(6-9)10-3;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9/h4-7H,8-11H2,1-3H3;8-11H,6-7H2,1-5H3;4-7H,8H2,1-3H3,(H,13,14);4-7,13H,8-9H2,1-3H3;6-9H,5H2,1-4H3;5-8H,1-4H3;4-7H,1-3H3;13H,4-8H2,1-3H3;3-8H,1-2H3;4-7,11H,1-3H3;4-8H,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyBTVBGNCZPAIJDP-UHFFFAOYSA-N
XLogP40.53
TPSA305.52 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds19
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003206.90
LogP ≤ 540.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

CID 157523316
CID 157523316
(2R,3R)-4-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[2-(methylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 159275224
(2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide
CID 159541167
CID 160077718
CID 160077718
(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide
CID 161488740
(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 161754536
1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-N-(4-tert-butylphenyl)pentanamide;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-[4-(2-aminophenoxy)phenyl]urea;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)-1-methylurea;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-cyclohexylphenyl)urea
CID 157053713
(3S,4S,5S)-4-amino-5-methyl-1-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;6-fluoro-3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2S,3S,4S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylpyrrolidine-3,4-diol;6-fluoro-5-propan-2-yloxy-3-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-isoindole;(4S)-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane;1-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 158285266
1-[3-[1-(Difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyridin-4-yl]-4-methylpiperidine-4-carbonitrile;1-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;4-methyl-1-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-methyl-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxylate;bis(4-methyl-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile);4-methyl-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxylic acid;2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxamide;1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-ol
CID 158435767
1-[3-[4-(2-aminoethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;(2S)-1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-methylurea;methyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;sulfane
CID 158539760
1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol
CID 158797263
CID 159073898
CID 159073898

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 157460150) is tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCN(C(=O)CO)CC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc(OCC(=O)O)cc1.CC(C)(C)c1ccc(OCCO)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)N1CCN(C)CC1.CC(C)c1ccc2cncn2c1.CCN(CC)c1ccc(C(C)(C)C)cc1.CCOc1ccc(C(C)(C)C)cc1.COC1CCN(C(C)C)C1.COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is BTVBGNCZPAIJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C14H23N.C12H16O3.C12H18O2.C12H18O.C11H16O.C10H13F.C10H20N2O2.C10H12N2.C10H14O.C10H14.C9H18N2O.2C8H18N2.2C8H17NO.C8H17N.C8H13N.2C7H12N2/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5;1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13;1-5-13-11-8-6-10(7-9-11)12(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)12-6-4-11(5-7-12)9(14)8-13;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)9-5-4-8(6-9)10-3;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9/h4-7H,8-11H2,1-3H3;8-11H,6-7H2,1-5H3;4-7H,8H2,1-3H3,(H,13,14);4-7,13H,8-9H2,1-3H3;6-9H,5H2,1-4H3;5-8H,1-4H3;4-7H,1-3H3;13H,4-8H2,1-3H3;3-8H,1-2H3;4-7,11H,1-3H3;4-8H,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3.
What are the key properties of tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 3206.90 g/mol, XLogP of 40.53, 19 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 157460150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).