cumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C240H314F2N20O6S4 — CID 158720255

IUPACcumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc(N)c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(F)c1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnn(C)c1.CC(C)c1csc2ccccc12.COc1ccc(C(C)C)cc1.COc1ccc(F)c(C(C)C)c1
InChIInChI=1S/C12H15N.C12H13N.2C11H13N.C11H17N.C11H14O.2C11H12O.2C11H12S.C10H13FO.C10H12N2.C10H14O.2C9H13N.C9H12.C8H10FN.2C8H11N.C7H12N2.C7H10N2.C7H10O.2C7H10S.2C6H10N2/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-9(2)10-5-7-11(8-6-10)12(3)4;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-6-8(12-3)4-5-10(9)11;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-10-8(9)5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-4-8-9-5-7;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h4-9H,1-3H3;3-9H,1-2H3;2*3-8,12H,1-2H3;5-9H,1-4H3;3-4,7-8H,5-6H2,1-2H3;4*3-8H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);4-8H,1-3H3;2*3-7H,10H2,1-2H3;3-8H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyIJVDNVWNYUPVJL-UHFFFAOYSA-N
MW3741.55 g/mol
LogP71.19
Rot. Bonds29

About cumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene

cumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 158720255) has the molecular formula C240H314F2N20O6S4 and a molecular weight of 3741.55 g/mol. Its IUPAC name is cumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Namecumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID158720255
Molecular FormulaC240H314F2N20O6S4
Molecular Weight3741.55 g/mol
Exact Mass3738.37
IUPAC Namecumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc(N)c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(F)c1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnn(C)c1.CC(C)c1csc2ccccc12.COc1ccc(C(C)C)cc1.COc1ccc(F)c(C(C)C)c1
InChIInChI=1S/C12H15N.C12H13N.2C11H13N.C11H17N.C11H14O.2C11H12O.2C11H12S.C10H13FO.C10H12N2.C10H14O.2C9H13N.C9H12.C8H10FN.2C8H11N.C7H12N2.C7H10N2.C7H10O.2C7H10S.2C6H10N2/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-9(2)10-5-7-11(8-6-10)12(3)4;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-6-8(12-3)4-5-10(9)11;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-10-8(9)5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-4-8-9-5-7;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h4-9H,1-3H3;3-9H,1-2H3;2*3-8,12H,1-2H3;5-9H,1-4H3;3-4,7-8H,5-6H2,1-2H3;4*3-8H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);4-8H,1-3H3;2*3-7H,10H2,1-2H3;3-8H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyIJVDNVWNYUPVJL-UHFFFAOYSA-N
XLogP71.19
TPSA340.10 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003741.55
LogP ≤ 571.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze cumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
CID 157050189
1-benzothiophene;N-butyl-N-propylpyrimidin-2-amine;N-cyclohexyl-2-fluorobenzamide;2-(cyclopentylmethyl)pyridine;N-cyclopropyl-2-fluorobenzamide;undecakis(2,2-dimethylpropane);3-fluoro-7H-cyclopenta[b]pyridine;1-[(3-fluorophenyl)methyl]pyrrolidine;1H-indole;methane;1-(3-methylbutyl)pyrazole;2-pentylpyridine;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 157170813
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 157634317
1,5-dimethyl-4-propan-2-ylpyrazole;N,N-diphenyl-3-propan-2-ylaniline;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-(2-fluorophenyl)-4-propan-2-ylpyrazole;1-(3-fluorophenyl)-4-propan-2-ylpyrazole;4-fluoro-2-propan-2-yl-1-(trifluoromethyl)benzene;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;8-methoxy-2-propan-2-ylquinoline;1-methyl-3-phenyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methylsulfanyl-5-propan-2-ylthiophene;5-phenyl-4-propan-2-yl-1H-pyrazole;1-(5-propan-2-ylfuran-2-yl)piperidine;2-propan-2-yl-3H-pyrrole;2-(2-propan-2-ylpyrrol-1-yl)pyridine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 157638275
1-benzothiophene;N-butyl-N-propylpyrimidin-2-amine;N-cyclohexyl-2-fluorobenzamide;2-(cyclopentylmethyl)pyridine;N-cyclopropyl-2-fluorobenzamide;undecakis(2,2-dimethylpropane);3-fluoro-7H-cyclopenta[b]pyridine;1-[(3-fluorophenyl)methyl]pyrrolidine;1H-indole;methane;1-(3-methylbutyl)pyrazole;2-pentylpyrimidine;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 157814801
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158286996
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;3,3-dimethyl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158732130
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158741564
6-(1-tert-butylcyclopropyl)-1H-benzimidazole;6-(1-tert-butylcyclopropyl)cinnoline;5-(1-tert-butylcyclopropyl)-1H-indazole;(1-tert-butylcyclopropyl)methylbenzene;2-[(1-tert-butylcyclopropyl)methyl]-5-fluoropyridine;2-[(1-tert-butylcyclopropyl)methyl]furan;4-[(1-tert-butylcyclopropyl)methyl]pyridazine;2-[(1-tert-butylcyclopropyl)methyl]pyridine;3-[(1-tert-butylcyclopropyl)methyl]pyridine;4-[(1-tert-butylcyclopropyl)methyl]pyridine;6-[(1-tert-butylcyclopropyl)methyl]quinoline;6-[(1-tert-butylcyclopropyl)methyl]quinoxaline;2-[(1-tert-butylcyclopropyl)methyl]thiophene;2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine;7-(1-tert-butylcyclopropyl)quinoline;6-(1-tert-butylcyclopropyl)quinoxaline
CID 158836849
3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;1-tert-butyl-6-(1-methylpyrazol-4-yl)indole;4-tert-butyl-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;8-tert-butyl-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine;5-tert-butylquinazolin-2-amine;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 159061409
CID 159320113
CID 159320113
1-chloro-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)-3-(trifluoromethyl)phenyl]quinazolin-4-amine;3-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[5-[(2-methylsulfonylethylamino)methyl]thiophen-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine
CID 159433002

Frequently Asked Questions

What is the IUPAC name of cumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of cumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 158720255) is cumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for cumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for cumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc(N)c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(F)c1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnn(C)c1.CC(C)c1csc2ccccc12.COc1ccc(C(C)C)cc1.COc1ccc(F)c(C(C)C)c1.
What is the InChIKey of cumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is IJVDNVWNYUPVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C12H13N.2C11H13N.C11H17N.C11H14O.2C11H12O.2C11H12S.C10H13FO.C10H12N2.C10H14O.2C9H13N.C9H12.C8H10FN.2C8H11N.C7H12N2.C7H10N2.C7H10O.2C7H10S.2C6H10N2/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-9(2)10-5-7-11(8-6-10)12(3)4;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-6-8(12-3)4-5-10(9)11;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-10-8(9)5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-4-8-9-5-7;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h4-9H,1-3H3;3-9H,1-2H3;2*3-8,12H,1-2H3;5-9H,1-4H3;3-4,7-8H,5-6H2,1-2H3;4*3-8H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);4-8H,1-3H3;2*3-7H,10H2,1-2H3;3-8H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8).
What are the key properties of cumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
cumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 3741.55 g/mol, XLogP of 71.19, 29 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;N,N-dimethyl-4-propan-2-ylaniline;1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 158720255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).