2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole

C193H326N28O4S2 — CID 162227663

IUPAC2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)N1CC2=C(CN=C2)C1.CC(C)(C)N1CCC2=C(C=CC2)C1.CC(C)(C)N1CCCc2ccccc21.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1CCc2nc[nH]c2C1.CC(C)(C)N1CCc2sccc2C1.CC(C)(C)N1Cc2ccccc2C1.CC(C)(C)N1Cc2ccncc2C1.CC(C)(C)N1Cc2ncsc2C1.CC(C)N1CCOCC1.CC(C)N1Cc2ccccc2C1=O.CC(C)n1cc(-c2ccccc2)cn1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ccccc21.COc1cc2c(cc1OC)CN(C(C)(C)C)CC2
InChIInChI=1S/C15H23NO2.2C13H19N.C12H14N2.C12H19N.C12H17N.C11H16N2.C11H13NO.C11H17NS.C10H17N3.C10H16N2.C10H12N2.C9H11N3.C9H14N2S.C7H15NO.2C6H10N2.16CH4/c1-15(2,3)16-7-6-11-8-13(17-4)14(18-5)9-12(11)10-16;1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-10(2)14-9-12(8-13-14)11-6-4-3-5-7-11;1-12(2,3)13-8-7-10-5-4-6-11(10)9-13;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-11(2,3)13-7-9-4-5-12-6-10(9)8-13;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-11(2,3)12-6-4-10-9(8-12)5-7-13-10;1-10(2,3)13-5-4-8-9(6-13)12-7-11-8;1-10(2,3)12-6-8-4-11-5-9(8)7-12;1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-9(2,3)11-4-7-8(5-11)12-6-10-7;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;;;;;;;;;;;;;;;;/h8-9H,6-7,10H2,1-5H3;4-5,7,9H,6,8,10H2,1-3H3;4-7H,8-10H2,1-3H3;3-10H,1-2H3;4,6H,5,7-9H2,1-3H3;4-7H,8-9H2,1-3H3;4-6H,7-8H2,1-3H3;3-6,8H,7H2,1-2H3;5,7H,4,6,8H2,1-3H3;7H,4-6H2,1-3H3,(H,11,12);4H,5-7H2,1-3H3;3-8H,1-2H3;3-7H,1-2H3;6H,4-5H2,1-3H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;16*1H4
InChIKeyZUYZDFPYLRBSEZ-UHFFFAOYSA-N
MW3167.06 g/mol
LogP48.54
Rot. Bonds10

About 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole

2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole (PubChem CID 162227663) has the molecular formula C193H326N28O4S2 and a molecular weight of 3167.06 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole.

Molecular Properties

Compound Name2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole
PubChem CID162227663
Molecular FormulaC193H326N28O4S2
Molecular Weight3167.06 g/mol
Exact Mass3164.56
IUPAC Name2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)N1CC2=C(CN=C2)C1.CC(C)(C)N1CCC2=C(C=CC2)C1.CC(C)(C)N1CCCc2ccccc21.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1CCc2nc[nH]c2C1.CC(C)(C)N1CCc2sccc2C1.CC(C)(C)N1Cc2ccccc2C1.CC(C)(C)N1Cc2ccncc2C1.CC(C)(C)N1Cc2ncsc2C1.CC(C)N1CCOCC1.CC(C)N1Cc2ccccc2C1=O.CC(C)n1cc(-c2ccccc2)cn1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ccccc21.COc1cc2c(cc1OC)CN(C(C)(C)C)CC2
InChIInChI=1S/C15H23NO2.2C13H19N.C12H14N2.C12H19N.C12H17N.C11H16N2.C11H13NO.C11H17NS.C10H17N3.C10H16N2.C10H12N2.C9H11N3.C9H14N2S.C7H15NO.2C6H10N2.16CH4/c1-15(2,3)16-7-6-11-8-13(17-4)14(18-5)9-12(11)10-16;1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-10(2)14-9-12(8-13-14)11-6-4-3-5-7-11;1-12(2,3)13-8-7-10-5-4-6-11(10)9-13;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-11(2,3)13-7-9-4-5-12-6-10(9)8-13;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-11(2,3)12-6-4-10-9(8-12)5-7-13-10;1-10(2,3)13-5-4-8-9(6-13)12-7-11-8;1-10(2,3)12-6-8-4-11-5-9(8)7-12;1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-9(2,3)11-4-7-8(5-11)12-6-10-7;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;;;;;;;;;;;;;;;;/h8-9H,6-7,10H2,1-5H3;4-5,7,9H,6,8,10H2,1-3H3;4-7H,8-10H2,1-3H3;3-10H,1-2H3;4,6H,5,7-9H2,1-3H3;4-7H,8-9H2,1-3H3;4-6H,7-8H2,1-3H3;3-6,8H,7H2,1-2H3;5,7H,4,6,8H2,1-3H3;7H,4-6H2,1-3H3,(H,11,12);4H,5-7H2,1-3H3;3-8H,1-2H3;3-7H,1-2H3;6H,4-5H2,1-3H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;16*1H4
InChIKeyZUYZDFPYLRBSEZ-UHFFFAOYSA-N
XLogP48.54
TPSA252.45 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds10
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003167.06
LogP ≤ 548.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Analyze 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole with MolForge

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Launch Full Analysis

Related Compounds

2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 158130528
2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 162143377
6,7-dimethoxy-2-methyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one
CID 172055247
1H-benzimidazol-3-ium;1-benzofuran;1,3-benzothiazole;furan;1H-imidazole;1H-indazole;2-methylisoindole-1,3-dione;1,5-naphthyridine;1H-pyrazole;pyridine;1,3-thiazole;1H-1,2,4-triazole;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium
CID 157077013
2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
CID 157165756
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-ylcinnoline;1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,8-naphthyridine;2-propan-2-ylpteridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline
CID 157265838
2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]-2-indazol-2-yl-1,3-thiazole-4-carboxamide;2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 157311837
bis(2-methyl-1H-benzimidazole);5-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;5-methylisoquinoline;8-methylisoquinoline;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methyl-1,3,5-triazine;toluene
CID 157388765
1H-benzimidazole;1,3-benzothiazole;1-benzothiophene;1,2,3-benzoxadiazole;cinnoline;2,3-dihydro-1-benzothiophene;isoquinoline;4-methyl-2,3-dihydro-1,4-benzoxazine;decakis(2-methylpropane);pyridine;pyrimidine
CID 157437168
1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;heptakis(2-methylpropane);3-methyl-3H-pyrrole;1,3-oxazole;quinoline;1,3-thiazole
CID 157512681
1-benzofuran;1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;5-methyl-1,3-benzodioxole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene
CID 157515258
3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one;1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one;1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one;3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]-7aH-imidazo[4,5-b]pyridin-3-ium;5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
CID 157685397

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole?
The IUPAC name of 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole (CID 162227663) is 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole.
What is the SMILES notation for 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole?
The canonical SMILES for 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)N1CC2=C(CN=C2)C1.CC(C)(C)N1CCC2=C(C=CC2)C1.CC(C)(C)N1CCCc2ccccc21.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1CCc2nc[nH]c2C1.CC(C)(C)N1CCc2sccc2C1.CC(C)(C)N1Cc2ccccc2C1.CC(C)(C)N1Cc2ccncc2C1.CC(C)(C)N1Cc2ncsc2C1.CC(C)N1CCOCC1.CC(C)N1Cc2ccccc2C1=O.CC(C)n1cc(-c2ccccc2)cn1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ccccc21.COc1cc2c(cc1OC)CN(C(C)(C)C)CC2.
What is the InChIKey of 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole?
The InChIKey is ZUYZDFPYLRBSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.2C13H19N.C12H14N2.C12H19N.C12H17N.C11H16N2.C11H13NO.C11H17NS.C10H17N3.C10H16N2.C10H12N2.C9H11N3.C9H14N2S.C7H15NO.2C6H10N2.16CH4/c1-15(2,3)16-7-6-11-8-13(17-4)14(18-5)9-12(11)10-16;1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-10(2)14-9-12(8-13-14)11-6-4-3-5-7-11;1-12(2,3)13-8-7-10-5-4-6-11(10)9-13;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-11(2,3)13-7-9-4-5-12-6-10(9)8-13;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-11(2,3)12-6-4-10-9(8-12)5-7-13-10;1-10(2,3)13-5-4-8-9(6-13)12-7-11-8;1-10(2,3)12-6-8-4-11-5-9(8)7-12;1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-9(2,3)11-4-7-8(5-11)12-6-10-7;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;;;;;;;;;;;;;;;;/h8-9H,6-7,10H2,1-5H3;4-5,7,9H,6,8,10H2,1-3H3;4-7H,8-10H2,1-3H3;3-10H,1-2H3;4,6H,5,7-9H2,1-3H3;4-7H,8-9H2,1-3H3;4-6H,7-8H2,1-3H3;3-6,8H,7H2,1-2H3;5,7H,4,6,8H2,1-3H3;7H,4-6H2,1-3H3,(H,11,12);4H,5-7H2,1-3H3;3-8H,1-2H3;3-7H,1-2H3;6H,4-5H2,1-3H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;16*1H4.
What are the key properties of 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole?
2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole has a molecular weight of 3167.06 g/mol, XLogP of 48.54, 10 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3-dihydropyrrolo[3,4-c]pyridine;5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;5-tert-butyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;2-tert-butyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline;2-tert-butyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;methane;4-phenyl-1-propan-2-ylpyrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;1-propan-2-ylindazole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole is sourced from PubChem (CID 162227663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).