3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

C268H391N19O2S2 — CID 157245712

IUPAC3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1csc2ccccc12.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1C(=O)CC2.CC(C)c1cccc2c1CCC2=O.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1CNC2.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2nccnc12.CC(C)c1cccn2cncc12.CC(C)c1cccn2nccc12.CC(C)c1cnc2ccccc2c1.CC(C)c1csc2c1CCNC2
InChIInChI=1S/7C12H13N.2C12H14O.C12H14S.2C12H16.C11H12N2.2C11H15N.C11H13N.3C10H12N2.C10H15NS.20C2H6/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;2*1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)9-4-3-5-11-10(9)6-7-12(11)13;1-8(2)10-5-3-4-9-6-7-11(13)12(9)10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-5-3-4-9-6-12-7-11(9)10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-8(2)9-4-3-5-12-7-11-6-10(9)12;1-7(2)9-6-12-10-5-11-4-3-8(9)10;20*1-2/h7*3-9H,1-2H3;2*3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;2*6-9H,3-5H2,1-2H3;3-8H,1-2H3;2*3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3*3-8H,1-2H3;6-7,11H,3-5H2,1-2H3;20*1-2H3
InChIKeyAVSULUWGWDCIJL-UHFFFAOYSA-N
MW3975.34 g/mol
LogP81.83
Rot. Bonds19

About 3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 157245712) has the molecular formula C268H391N19O2S2 and a molecular weight of 3975.34 g/mol. Its IUPAC name is 3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID157245712
Molecular FormulaC268H391N19O2S2
Molecular Weight3975.34 g/mol
Exact Mass3972.05
IUPAC Name3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1csc2ccccc12.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1C(=O)CC2.CC(C)c1cccc2c1CCC2=O.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1CNC2.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2nccnc12.CC(C)c1cccn2cncc12.CC(C)c1cccn2nccc12.CC(C)c1cnc2ccccc2c1.CC(C)c1csc2c1CCNC2
InChIInChI=1S/7C12H13N.2C12H14O.C12H14S.2C12H16.C11H12N2.2C11H15N.C11H13N.3C10H12N2.C10H15NS.20C2H6/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;2*1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)9-4-3-5-11-10(9)6-7-12(11)13;1-8(2)10-5-3-4-9-6-7-11(13)12(9)10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-5-3-4-9-6-12-7-11(9)10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-8(2)9-4-3-5-12-7-11-6-10(9)12;1-7(2)9-6-12-10-5-11-4-3-8(9)10;20*1-2/h7*3-9H,1-2H3;2*3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;2*6-9H,3-5H2,1-2H3;3-8H,1-2H3;2*3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3*3-8H,1-2H3;6-7,11H,3-5H2,1-2H3;20*1-2H3
InChIKeyAVSULUWGWDCIJL-UHFFFAOYSA-N
XLogP81.83
TPSA253.93 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms291
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003975.34
LogP ≤ 581.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

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
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;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridine;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 157193099
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;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridine;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 157269542
2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;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;2-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;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;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157331405
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
1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
CID 158388376
2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;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;2-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;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;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;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 159019858
3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-6-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;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-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;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;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 160413058
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;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridine;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;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;methane
CID 160524410
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 160978215
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;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridine;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;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 161473352
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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 157245712) is 3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1csc2ccccc12.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1C(=O)CC2.CC(C)c1cccc2c1CCC2=O.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1CNC2.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2nccnc12.CC(C)c1cccn2cncc12.CC(C)c1cccn2nccc12.CC(C)c1cnc2ccccc2c1.CC(C)c1csc2c1CCNC2.
What is the InChIKey of 3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is AVSULUWGWDCIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/7C12H13N.2C12H14O.C12H14S.2C12H16.C11H12N2.2C11H15N.C11H13N.3C10H12N2.C10H15NS.20C2H6/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;2*1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)9-4-3-5-11-10(9)6-7-12(11)13;1-8(2)10-5-3-4-9-6-7-11(13)12(9)10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-5-3-4-9-6-12-7-11(9)10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-8(2)9-4-3-5-12-7-11-6-10(9)12;1-7(2)9-6-12-10-5-11-4-3-8(9)10;20*1-2/h7*3-9H,1-2H3;2*3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;2*6-9H,3-5H2,1-2H3;3-8H,1-2H3;2*3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3*3-8H,1-2H3;6-7,11H,3-5H2,1-2H3;20*1-2H3.
What are the key properties of 3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 3975.34 g/mol, XLogP of 81.83, 19 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-benzothiophene;ethane;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 157245712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).