1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine

C247H296N22O7S7 — CID 158785779

IUPAC1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine
SMILESCC(C)(C)C1=Cc2ncccc2C1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1cc2cccnc2o1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2ccncc2[nH]1.CC(C)(C)c1cc2ccncc2o1.CC(C)(C)c1cc2ccncc2s1.CC(C)(C)c1cc2ncccc2o1.CC(C)(C)c1cc2ncccc2s1.CC(C)(C)c1occ2ccccc12.CC(C)(C)c1occ2cccnc12.CC(C)(C)c1occ2ccncc12.CC(C)(C)c1scc2ccccc12.CC(C)(C)c1scc2cccnc12.CC(C)(C)c1scc2ccncc12.CC(C)(C)n1cc2ccccc2c1.CC(C)(C)n1cc2cccnc2c1.CC(C)(C)n1cc2ccncc2c1.CC1=Cc2cnccc2C1
InChIInChI=1S/3C12H15N.2C12H14O.2C12H14S.4C11H14N2.5C11H13NO.5C11H13NS.C9H9N/c1-12(2,3)10-7-9-5-4-6-13-11(9)8-10;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)13-7-9-4-5-12-6-10(9)8-13;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)13-7-9-5-4-6-12-10(9)8-13;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-9-6-12-5-4-8(9)7-13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)10-9-8(7-13-10)5-4-6-12-9;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-9-6-12-5-4-8(9)7-13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)10-9-8(7-13-10)5-4-6-12-9;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-7-4-8-2-3-10-6-9(8)5-7/h4-6,8H,7H2,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;5*4-8H,1-3H3;4-7,13H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);10*4-7H,1-3H3;2-3,5-6H,4H2,1H3
InChIKeyIRQXSZDNUWSCOV-UHFFFAOYSA-N
MW3909.70 g/mol
LogP72.73
Rot. Bonds

About 1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine

1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine (PubChem CID 158785779) has the molecular formula C247H296N22O7S7 and a molecular weight of 3909.70 g/mol. Its IUPAC name is 1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine
PubChem CID158785779
Molecular FormulaC247H296N22O7S7
Molecular Weight3909.70 g/mol
Exact Mass3906.15
IUPAC Name1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine
SMILESCC(C)(C)C1=Cc2ncccc2C1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1cc2cccnc2o1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2ccncc2[nH]1.CC(C)(C)c1cc2ccncc2o1.CC(C)(C)c1cc2ccncc2s1.CC(C)(C)c1cc2ncccc2o1.CC(C)(C)c1cc2ncccc2s1.CC(C)(C)c1occ2ccccc12.CC(C)(C)c1occ2cccnc12.CC(C)(C)c1occ2ccncc12.CC(C)(C)c1scc2ccccc12.CC(C)(C)c1scc2cccnc12.CC(C)(C)c1scc2ccncc12.CC(C)(C)n1cc2ccccc2c1.CC(C)(C)n1cc2cccnc2c1.CC(C)(C)n1cc2ccncc2c1.CC1=Cc2cnccc2C1
InChIInChI=1S/3C12H15N.2C12H14O.2C12H14S.4C11H14N2.5C11H13NO.5C11H13NS.C9H9N/c1-12(2,3)10-7-9-5-4-6-13-11(9)8-10;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)13-7-9-4-5-12-6-10(9)8-13;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)13-7-9-5-4-6-12-10(9)8-13;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-9-6-12-5-4-8(9)7-13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)10-9-8(7-13-10)5-4-6-12-9;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-9-6-12-5-4-8(9)7-13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)10-9-8(7-13-10)5-4-6-12-9;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-7-4-8-2-3-10-6-9(8)5-7/h4-6,8H,7H2,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;5*4-8H,1-3H3;4-7,13H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);10*4-7H,1-3H3;2-3,5-6H,4H2,1H3
InChIKeyIRQXSZDNUWSCOV-UHFFFAOYSA-N
XLogP72.73
TPSA360.38 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds
Heavy Atoms283
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003909.70
LogP ≤ 572.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Analyze 1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
N-[2-[5-(furan-2-yl)-2-pyridinyl]ethyl]-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-(oxan-4-yl)-N-[2-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 157655987
4-[2-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;2-[4-[[2-(2-cyano-1H-indol-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide;2-[[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]methyl]-5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]oxazolo[4,5-d]pyrimidine;2-methyl-2-[4-[[5-(2-methyl-1-benzofuran-3-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]propanamide
CID 157947850
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 159452581
CID 159678045
CID 159678045
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 159780650
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine?
The IUPAC name of 1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine (CID 158785779) is 1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine.
What is the SMILES notation for 1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine?
The canonical SMILES for 1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine is CC(C)(C)C1=Cc2ncccc2C1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1cc2cccnc2o1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2ccncc2[nH]1.CC(C)(C)c1cc2ccncc2o1.CC(C)(C)c1cc2ccncc2s1.CC(C)(C)c1cc2ncccc2o1.CC(C)(C)c1cc2ncccc2s1.CC(C)(C)c1occ2ccccc12.CC(C)(C)c1occ2cccnc12.CC(C)(C)c1occ2ccncc12.CC(C)(C)c1scc2ccccc12.CC(C)(C)c1scc2cccnc12.CC(C)(C)c1scc2ccncc12.CC(C)(C)n1cc2ccccc2c1.CC(C)(C)n1cc2cccnc2c1.CC(C)(C)n1cc2ccncc2c1.CC1=Cc2cnccc2C1.
What is the InChIKey of 1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine?
The InChIKey is IRQXSZDNUWSCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H15N.2C12H14O.2C12H14S.4C11H14N2.5C11H13NO.5C11H13NS.C9H9N/c1-12(2,3)10-7-9-5-4-6-13-11(9)8-10;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)13-7-9-4-5-12-6-10(9)8-13;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)13-7-9-5-4-6-12-10(9)8-13;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-9-6-12-5-4-8(9)7-13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)10-9-8(7-13-10)5-4-6-12-9;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-9-6-12-5-4-8(9)7-13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)10-9-8(7-13-10)5-4-6-12-9;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-7-4-8-2-3-10-6-9(8)5-7/h4-6,8H,7H2,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;5*4-8H,1-3H3;4-7,13H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);10*4-7H,1-3H3;2-3,5-6H,4H2,1H3.
What are the key properties of 1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine?
1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine has a molecular weight of 3909.70 g/mol, XLogP of 72.73, 0 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-benzofuran;2-tert-butyl-1-benzofuran;1-tert-butyl-2-benzothiophene;2-tert-butyl-1-benzothiophene;6-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butylfuro[2,3-b]pyridine;2-tert-butylfuro[3,2-b]pyridine;7-tert-butylfuro[3,4-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butylfuro[3,4-c]pyridine;2-tert-butyl-1H-indole;2-tert-butylisoindole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylpyrrolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butylpyrrolo[3,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butylthieno[3,4-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;6-methyl-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 158785779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).