3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

C193H239F4N19O3S — CID 163984895

IUPAC3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)C1=CNC2N=CC(C(F)(F)F)=CC12.CC(C)(C)c1c(F)ccc2[nH]ccc12.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1cccc2c(=O)[nH]ccc12.CC(C)(C)c1cccc2c1CCCC2.CC(C)(C)c1cccc2cc(N3CCCC3)ncc12.CC(C)(C)c1cccc2cc(N3CCOCC3)ncc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2nc(N)ncc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1csc2ccccc12.CN(C)c1ccc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1.Cn1cc2c(C(C)(C)C)cccc2n1
InChIInChI=1S/C20H25N3O.C17H22N2O.C17H22N2.C14H20.C14H16.C13H15NO.2C13H15N.C12H15F3N2.C12H14FN.C12H15N3.C12H16N2.C12H15N.C12H14S/c1-20(2,3)17-8-6-7-14-13-23(19(24)11-16(14)17)15-9-10-18(21-12-15)22(4)5;1-17(2,3)15-6-4-5-13-11-16(18-12-14(13)15)19-7-9-20-10-8-19;1-17(2,3)15-8-6-7-13-11-16(18-12-14(13)15)19-9-4-5-10-19;2*1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-6-4-5-10-9(11)7-8-14-12(10)15;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-11(2,3)9-6-17-10-8(9)4-7(5-16-10)12(13,14)15;1-12(2,3)11-8-6-7-14-10(8)5-4-9(11)13;1-12(2,3)9-5-4-6-10-8(9)7-14-11(13)15-10;1-12(2,3)10-6-5-7-11-9(10)8-14(4)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/h6-10,12H,11,13H2,1-5H3;4-6,11-12H,7-10H2,1-3H3;6-8,11-12H,4-5,9-10H2,1-3H3;6,8,10H,4-5,7,9H2,1-3H3;4-10H,1-3H3;4-8H,1-3H3,(H,14,15);2*4-9H,1-3H3;4-6,8,10,17H,1-3H3;4-7,14H,1-3H3;4-7H,1-3H3,(H2,13,14,15);5-8H,1-4H3;4-8,13H,1-3H3;4-8H,1-3H3
InChIKeyTVKDAEFIQBMSGZ-UHFFFAOYSA-N
MW2981.22 g/mol
LogP48.61
Rot. Bonds4

About 3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 163984895) has the molecular formula C193H239F4N19O3S and a molecular weight of 2981.22 g/mol. Its IUPAC name is 3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID163984895
Molecular FormulaC193H239F4N19O3S
Molecular Weight2981.22 g/mol
Exact Mass2978.88
IUPAC Name3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)C1=CNC2N=CC(C(F)(F)F)=CC12.CC(C)(C)c1c(F)ccc2[nH]ccc12.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1cccc2c(=O)[nH]ccc12.CC(C)(C)c1cccc2c1CCCC2.CC(C)(C)c1cccc2cc(N3CCCC3)ncc12.CC(C)(C)c1cccc2cc(N3CCOCC3)ncc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2nc(N)ncc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1csc2ccccc12.CN(C)c1ccc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1.Cn1cc2c(C(C)(C)C)cccc2n1
InChIInChI=1S/C20H25N3O.C17H22N2O.C17H22N2.C14H20.C14H16.C13H15NO.2C13H15N.C12H15F3N2.C12H14FN.C12H15N3.C12H16N2.C12H15N.C12H14S/c1-20(2,3)17-8-6-7-14-13-23(19(24)11-16(14)17)15-9-10-18(21-12-15)22(4)5;1-17(2,3)15-6-4-5-13-11-16(18-12-14(13)15)19-7-9-20-10-8-19;1-17(2,3)15-8-6-7-13-11-16(18-12-14(13)15)19-9-4-5-10-19;2*1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-6-4-5-10-9(11)7-8-14-12(10)15;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-11(2,3)9-6-17-10-8(9)4-7(5-16-10)12(13,14)15;1-12(2,3)11-8-6-7-14-10(8)5-4-9(11)13;1-12(2,3)9-5-4-6-10-8(9)7-14-11(13)15-10;1-12(2,3)10-6-5-7-11-9(10)8-14(4)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/h6-10,12H,11,13H2,1-5H3;4-6,11-12H,7-10H2,1-3H3;6-8,11-12H,4-5,9-10H2,1-3H3;6,8,10H,4-5,7,9H2,1-3H3;4-10H,1-3H3;4-8H,1-3H3,(H,14,15);2*4-9H,1-3H3;4-6,8,10,17H,1-3H3;4-7,14H,1-3H3;4-7H,1-3H3,(H2,13,14,15);5-8H,1-4H3;4-8,13H,1-3H3;4-8H,1-3H3
InChIKeyTVKDAEFIQBMSGZ-UHFFFAOYSA-N
XLogP48.61
TPSA262.16 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds4
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002981.22
LogP ≤ 548.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-[2-[3-[2-[(3S)-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-methyl-3H-isoindol-1-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]-2H-quinolin-6-yl]pyridin-3-yl]cyclohexanecarboxamide
CID 145308616
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-[[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]methyl]indazol-5-yl]pyridin-3-yl]cyclohexanecarboxamide
CID 145650626
methane;3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-yl-3H-indol-2-one;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157114759
4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 157143412
6-tert-butyl-7,7a-dihydro-1H-indole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-tert-butyl-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-tert-butylnaphthalene;5-tert-butylquinazolin-2-amine;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 157246976
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 157348909
9-(1H-isoindol-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 158276681
2-(4-cyclopentylanilino)-6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltriazol-4-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158457455
6-(1-benzyl-5,5-difluoropiperidin-3-yl)-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3S,4R)-4-cyclopropyl-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3S,4R)-1-ethyl-4-propan-2-ylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3S,4R)-1-ethyl-4-thiophen-2-ylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-phenylethyl)-1,8-dihydrobenzo[f]isoindol-7-one;3-(2-methylpyrazol-3-yl)-6-(1-phenylethyl)-1,8-dihydrobenzo[f]isoindol-7-one
CID 158490454
2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-(oxetan-3-yl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;4-propan-2-yloxane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158491362
6-[[6-(1-Benzothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;(4-propan-2-ylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
CID 158591390
8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one)
CID 158798655

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 163984895) is 3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is CC(C)(C)C1=CNC2N=CC(C(F)(F)F)=CC12.CC(C)(C)c1c(F)ccc2[nH]ccc12.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1cccc2c(=O)[nH]ccc12.CC(C)(C)c1cccc2c1CCCC2.CC(C)(C)c1cccc2cc(N3CCCC3)ncc12.CC(C)(C)c1cccc2cc(N3CCOCC3)ncc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2nc(N)ncc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1csc2ccccc12.CN(C)c1ccc(N2Cc3cccc(C(C)(C)C)c3CC2=O)cn1.Cn1cc2c(C(C)(C)C)cccc2n1.
What is the InChIKey of 3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is TVKDAEFIQBMSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.C17H22N2O.C17H22N2.C14H20.C14H16.C13H15NO.2C13H15N.C12H15F3N2.C12H14FN.C12H15N3.C12H16N2.C12H15N.C12H14S/c1-20(2,3)17-8-6-7-14-13-23(19(24)11-16(14)17)15-9-10-18(21-12-15)22(4)5;1-17(2,3)15-6-4-5-13-11-16(18-12-14(13)15)19-7-9-20-10-8-19;1-17(2,3)15-8-6-7-13-11-16(18-12-14(13)15)19-9-4-5-10-19;2*1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-6-4-5-10-9(11)7-8-14-12(10)15;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-11(2,3)9-6-17-10-8(9)4-7(5-16-10)12(13,14)15;1-12(2,3)11-8-6-7-14-10(8)5-4-9(11)13;1-12(2,3)9-5-4-6-10-8(9)7-14-11(13)15-10;1-12(2,3)10-6-5-7-11-9(10)8-14(4)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/h6-10,12H,11,13H2,1-5H3;4-6,11-12H,7-10H2,1-3H3;6-8,11-12H,4-5,9-10H2,1-3H3;6,8,10H,4-5,7,9H2,1-3H3;4-10H,1-3H3;4-8H,1-3H3,(H,14,15);2*4-9H,1-3H3;4-6,8,10,17H,1-3H3;4-7,14H,1-3H3;4-7H,1-3H3,(H2,13,14,15);5-8H,1-4H3;4-8,13H,1-3H3;4-8H,1-3H3.
What are the key properties of 3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2981.22 g/mol, XLogP of 48.61, 4 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 163984895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).