7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine

C218H276ClN59O3S — CID 159485445

IUPAC7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCC(C)(C)C1=CC=NC2=NN=NC12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1ccnc2c1CC=C2.CC(C)(C)c1ccnc2c1CN=C2.CC(C)(C)c1ccnc2c1OCC2.CC(C)(C)c1ccnc2ccnn12.CC(C)(C)c1ccnc2ccoc12.CC(C)(C)c1ccnc2nccn12.CC(C)(C)c1ccnc2ncnn12.CC(C)(C)c1ccnc2ncnn12.CC(C)(C)c1ccnc2occc12.CC(C)(C)c1ccnn2cccc12.CC(C)(C)c1ccnn2ccnc12.CC(C)(C)c1ccnn2cnnc12.CC(C)(C)c1ccnn2nccc12.CC(C)(C)c1ccnn2nccc12.CC(C)(C)c1ccnn2ncnc12.CC(C)c1cc(Cl)nc2nccn12.CC(C)c1ccnc2ccnn12.CC(C)c1ccnc2nncn12.CC(C)c1ccnc2scnc12.CC(C)c1ccnn2cncc12
InChIInChI=1S/2C12H15N.2C11H14N2.C11H13NO.C11H15NO.C11H13NO.5C10H13N3.C9H10ClN3.5C9H12N4.2C9H11N3.C9H10N2S.C8H10N4/c1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-7-8-13-11-6-4-5-9(10)11;1-11(2,3)9-4-5-13-10-7-12-6-8(9)10;1-11(2,3)9-6-7-12-13-8-4-5-10(9)13;1-11(2,3)9-4-6-12-10-8(9)5-7-13-10;2*1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-10(2,3)8-4-6-11-9-5-7-12-13(8)9;2*1-10(2,3)8-4-6-11-13-9(8)5-7-12-13;1-10(2,3)8-4-5-11-9-12-6-7-13(8)9;1-10(2,3)8-4-5-12-13-7-6-11-9(8)13;1-6(2)7-5-8(10)12-9-11-3-4-13(7)9;2*1-9(2,3)7-4-5-10-8-11-6-12-13(7)8;1-9(2,3)7-4-5-11-13-6-10-12-8(7)13;1-9(2,3)7-4-5-11-13-8(7)10-6-12-13;1-9(2,3)6-4-5-10-8-7(6)11-13-12-8;1-7(2)8-3-5-10-9-4-6-11-12(8)9;1-7(2)8-3-4-11-12-6-10-5-9(8)12;1-6(2)7-3-4-10-9-8(7)11-5-12-9;1-6(2)7-3-4-9-8-11-10-5-12(7)8/h4-8,13H,1-3H3;4,6-8H,5H2,1-3H3;4-5,7H,6H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4,6H,5,7H2,1-3H3;6*4-7H,1-3H3;3-6H,1-2H3;4*4-6H,1-3H3;4-5,7H,1-3H3;2*3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyLXNFBRRKVIVUGL-UHFFFAOYSA-N
MW3838.54 g/mol
LogP48.21
Rot. Bonds5

About 7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine

7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 159485445) has the molecular formula C218H276ClN59O3S and a molecular weight of 3838.54 g/mol. Its IUPAC name is 7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID159485445
Molecular FormulaC218H276ClN59O3S
Molecular Weight3838.54 g/mol
Exact Mass3835.27
IUPAC Name7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCC(C)(C)C1=CC=NC2=NN=NC12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1ccnc2c1CC=C2.CC(C)(C)c1ccnc2c1CN=C2.CC(C)(C)c1ccnc2c1OCC2.CC(C)(C)c1ccnc2ccnn12.CC(C)(C)c1ccnc2ccoc12.CC(C)(C)c1ccnc2nccn12.CC(C)(C)c1ccnc2ncnn12.CC(C)(C)c1ccnc2ncnn12.CC(C)(C)c1ccnc2occc12.CC(C)(C)c1ccnn2cccc12.CC(C)(C)c1ccnn2ccnc12.CC(C)(C)c1ccnn2cnnc12.CC(C)(C)c1ccnn2nccc12.CC(C)(C)c1ccnn2nccc12.CC(C)(C)c1ccnn2ncnc12.CC(C)c1cc(Cl)nc2nccn12.CC(C)c1ccnc2ccnn12.CC(C)c1ccnc2nncn12.CC(C)c1ccnc2scnc12.CC(C)c1ccnn2cncc12
InChIInChI=1S/2C12H15N.2C11H14N2.C11H13NO.C11H15NO.C11H13NO.5C10H13N3.C9H10ClN3.5C9H12N4.2C9H11N3.C9H10N2S.C8H10N4/c1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-7-8-13-11-6-4-5-9(10)11;1-11(2,3)9-4-5-13-10-7-12-6-8(9)10;1-11(2,3)9-6-7-12-13-8-4-5-10(9)13;1-11(2,3)9-4-6-12-10-8(9)5-7-13-10;2*1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-10(2,3)8-4-6-11-9-5-7-12-13(8)9;2*1-10(2,3)8-4-6-11-13-9(8)5-7-12-13;1-10(2,3)8-4-5-11-9-12-6-7-13(8)9;1-10(2,3)8-4-5-12-13-7-6-11-9(8)13;1-6(2)7-5-8(10)12-9-11-3-4-13(7)9;2*1-9(2,3)7-4-5-10-8-11-6-12-13(7)8;1-9(2,3)7-4-5-11-13-6-10-12-8(7)13;1-9(2,3)7-4-5-11-13-8(7)10-6-12-13;1-9(2,3)6-4-5-10-8-7(6)11-13-12-8;1-7(2)8-3-5-10-9-4-6-11-12(8)9;1-7(2)8-3-4-11-12-6-10-5-9(8)12;1-6(2)7-3-4-10-9-8(7)11-5-12-9;1-6(2)7-3-4-9-8-11-10-5-12(7)8/h4-8,13H,1-3H3;4,6-8H,5H2,1-3H3;4-5,7H,6H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4,6H,5,7H2,1-3H3;6*4-7H,1-3H3;3-6H,1-2H3;4*4-6H,1-3H3;4-5,7H,1-3H3;2*3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyLXNFBRRKVIVUGL-UHFFFAOYSA-N
XLogP48.21
TPSA677.55 Ų
H-Bond Donors1
H-Bond Acceptors62
Rotatable Bonds5
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003838.54
LogP ≤ 548.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1062

Analyze 7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine 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
1H-benzimidazole;1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;2-pyridin-3-yl-1,3-oxazole;3-(1H-pyrrol-2-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157674447
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;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;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 157712548
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;methane;2-methoxypyridine;3-methoxypyridine;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;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;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;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157989050
1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);1-methylpyrrolo[2,3-c]pyridine;1-propylpyrazole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158201797
5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;2-tert-butyl-3-chloropyrazolo[1,5-a]pyrimidine;2-tert-butyl-5-chloropyrazolo[1,5-a]pyrimidine;2-tert-butyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine;3-tert-butyl-2-cyclopropylimidazo[1,2-b]pyridazine;2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylimidazo[1,2-a]pyrazine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 158333268
1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1H-imidazo[4,5-b]pyridine;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;2-pyridin-3-yl-1,3-oxazole;3-(1H-pyrrol-2-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159079495
2-(1,3-benzoxazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-chloropyrazol-1-yl)-N-(2-cyclopropylpropan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-chloropyrazol-1-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(4-chloro-1,3-thiazol-2-yl)-N-(2-cyclopropylpropan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluoropyrrolidin-1-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(1,2-thiazol-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 159243345
bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
CID 159672532
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;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-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;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 160673149
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;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[3,2-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;bis(1H-pyrrolo[3,2-c]pyridine);1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 161844490
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;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-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;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 162116184

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine (CID 159485445) is 7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine is CC(C)(C)C1=CC=NC2=NN=NC12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1ccnc2c1CC=C2.CC(C)(C)c1ccnc2c1CN=C2.CC(C)(C)c1ccnc2c1OCC2.CC(C)(C)c1ccnc2ccnn12.CC(C)(C)c1ccnc2ccoc12.CC(C)(C)c1ccnc2nccn12.CC(C)(C)c1ccnc2ncnn12.CC(C)(C)c1ccnc2ncnn12.CC(C)(C)c1ccnc2occc12.CC(C)(C)c1ccnn2cccc12.CC(C)(C)c1ccnn2ccnc12.CC(C)(C)c1ccnn2cnnc12.CC(C)(C)c1ccnn2nccc12.CC(C)(C)c1ccnn2nccc12.CC(C)(C)c1ccnn2ncnc12.CC(C)c1cc(Cl)nc2nccn12.CC(C)c1ccnc2ccnn12.CC(C)c1ccnc2nncn12.CC(C)c1ccnc2scnc12.CC(C)c1ccnn2cncc12.
What is the InChIKey of 7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is LXNFBRRKVIVUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N.2C11H14N2.C11H13NO.C11H15NO.C11H13NO.5C10H13N3.C9H10ClN3.5C9H12N4.2C9H11N3.C9H10N2S.C8H10N4/c1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-7-8-13-11-6-4-5-9(10)11;1-11(2,3)9-4-5-13-10-7-12-6-8(9)10;1-11(2,3)9-6-7-12-13-8-4-5-10(9)13;1-11(2,3)9-4-6-12-10-8(9)5-7-13-10;2*1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-10(2,3)8-4-6-11-9-5-7-12-13(8)9;2*1-10(2,3)8-4-6-11-13-9(8)5-7-12-13;1-10(2,3)8-4-5-11-9-12-6-7-13(8)9;1-10(2,3)8-4-5-12-13-7-6-11-9(8)13;1-6(2)7-5-8(10)12-9-11-3-4-13(7)9;2*1-9(2,3)7-4-5-10-8-11-6-12-13(7)8;1-9(2,3)7-4-5-11-13-6-10-12-8(7)13;1-9(2,3)7-4-5-11-13-8(7)10-6-12-13;1-9(2,3)6-4-5-10-8-7(6)11-13-12-8;1-7(2)8-3-5-10-9-4-6-11-12(8)9;1-7(2)8-3-4-11-12-6-10-5-9(8)12;1-6(2)7-3-4-10-9-8(7)11-5-12-9;1-6(2)7-3-4-9-8-11-10-5-12(7)8/h4-8,13H,1-3H3;4,6-8H,5H2,1-3H3;4-5,7H,6H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4,6H,5,7H2,1-3H3;6*4-7H,1-3H3;3-6H,1-2H3;4*4-6H,1-3H3;4-5,7H,1-3H3;2*3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine?
7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 3838.54 g/mol, XLogP of 48.21, 5 rotatable bonds, 1 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 159485445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).