4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

C207H290Cl2F5N27OS — CID 162281458

IUPAC4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)Cc1cc(C(C)C)n(C)n1.CC(C)c1cc2ccccn2n1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2ncnn12.CC(C)c1ccccc1C(C)(F)F.CC(C)c1ccccn1.CC(C)c1cnc(-c2ccccc2)[nH]1.CC(C)c1nccs1.CCCn1nc(C)cc1C(C)C.COCc1ccc(C(C)C)cc1.Cc1c(C(C)C)nnn1C.Cc1cc(C(C)C)ccc1F.Cc1cc(F)cnc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1ccc2n[nH]c(C(C)C)c2c1.Cc1cnc(C)c(C(C)C)c1.Cc1cnc(Cl)cc1C(C)C.Cc1nc(C(C)C)ncc1C(C)C.Cc1ncncc1C(C)C
InChIInChI=1S/C12H14N2.2C12H15N.C11H14F2.C11H14N2.C11H20N2.C11H18N2.C11H16O.C10H13Cl.2C10H13F.C10H12N2.C10H18N2.C10H15N.C9H12ClN.C9H12FN.C9H11N3.C8H12N2.C8H11N.C7H13N3.C6H9NS/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-7(2)11-9-6-8(3)4-5-10(9)12-13-11;1-8(2)6-10-7-11(9(3)4)13(5)12-10;1-7(2)10-6-12-11(8(3)4)13-9(10)5;1-9(2)11-6-4-10(5-7-11)8-12-3;1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)10-6-9(11)5-4-8(10)3;1-8(2)10-7-9-5-3-4-6-12(9)11-10;1-5-6-12-10(8(2)3)7-9(4)11-12;1-7(2)10-5-8(3)6-11-9(10)4;1-6(2)8-4-9(10)11-5-7(8)3;1-6(2)9-7(3)4-8(10)5-11-9;1-7(2)8-4-3-5-9-10-6-11-12(8)9;1-6(2)8-4-9-5-10-7(8)3;1-7(2)8-5-3-4-6-9-8;1-5(2)7-6(3)10(4)9-8-7;1-5(2)6-7-3-4-8-6/h3-9H,1-2H3,(H,13,14);2*4-9H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);7-9H,6H2,1-5H3;6-8H,1-5H3;4-7,9H,8H2,1-3H3;3*4-7H,1-3H3;3-8H,1-2H3;7-8H,5-6H2,1-4H3;5-7H,1-4H3;2*4-6H,1-3H3;3-7H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;5H,1-4H3;3-5H,1-2H3
InChIKeyRHOLXGOOQHVQDO-UHFFFAOYSA-N
MW3370.75 g/mol
LogP59.04
Rot. Bonds30

About 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 162281458) has the molecular formula C207H290Cl2F5N27OS and a molecular weight of 3370.75 g/mol. Its IUPAC name is 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID162281458
Molecular FormulaC207H290Cl2F5N27OS
Molecular Weight3370.75 g/mol
Exact Mass3367.25
IUPAC Name4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)Cc1cc(C(C)C)n(C)n1.CC(C)c1cc2ccccn2n1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2ncnn12.CC(C)c1ccccc1C(C)(F)F.CC(C)c1ccccn1.CC(C)c1cnc(-c2ccccc2)[nH]1.CC(C)c1nccs1.CCCn1nc(C)cc1C(C)C.COCc1ccc(C(C)C)cc1.Cc1c(C(C)C)nnn1C.Cc1cc(C(C)C)ccc1F.Cc1cc(F)cnc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1ccc2n[nH]c(C(C)C)c2c1.Cc1cnc(C)c(C(C)C)c1.Cc1cnc(Cl)cc1C(C)C.Cc1nc(C(C)C)ncc1C(C)C.Cc1ncncc1C(C)C
InChIInChI=1S/C12H14N2.2C12H15N.C11H14F2.C11H14N2.C11H20N2.C11H18N2.C11H16O.C10H13Cl.2C10H13F.C10H12N2.C10H18N2.C10H15N.C9H12ClN.C9H12FN.C9H11N3.C8H12N2.C8H11N.C7H13N3.C6H9NS/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-7(2)11-9-6-8(3)4-5-10(9)12-13-11;1-8(2)6-10-7-11(9(3)4)13(5)12-10;1-7(2)10-6-12-11(8(3)4)13-9(10)5;1-9(2)11-6-4-10(5-7-11)8-12-3;1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)10-6-9(11)5-4-8(10)3;1-8(2)10-7-9-5-3-4-6-12(9)11-10;1-5-6-12-10(8(2)3)7-9(4)11-12;1-7(2)10-5-8(3)6-11-9(10)4;1-6(2)8-4-9(10)11-5-7(8)3;1-6(2)9-7(3)4-8(10)5-11-9;1-7(2)8-4-3-5-9-10-6-11-12(8)9;1-6(2)8-4-9-5-10-7(8)3;1-7(2)8-5-3-4-6-9-8;1-5(2)7-6(3)10(4)9-8-7;1-5(2)6-7-3-4-8-6/h3-9H,1-2H3,(H,13,14);2*4-9H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);7-9H,6H2,1-5H3;6-8H,1-5H3;4-7,9H,8H2,1-3H3;3*4-7H,1-3H3;3-8H,1-2H3;7-8H,5-6H2,1-4H3;5-7H,1-4H3;2*4-6H,1-3H3;3-7H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;5H,1-4H3;3-5H,1-2H3
InChIKeyRHOLXGOOQHVQDO-UHFFFAOYSA-N
XLogP59.04
TPSA306.30 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003370.75
LogP ≤ 559.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole
CID 157351327
8-chloro-6-methylimidazo[1,2-a]pyridine;7-chloro-5-methyl-1H-indazole;8-chloro-6-methylquinoline;3,5-dimethyl-2H-indazole;6,8-dimethylquinoline;2,4-dimethyl-6-(trifluoromethyl)pyridine;6-methyl-1,3-benzothiazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;5-methyl-1H-indazole;6-methylisoquinoline;6-methylquinolin-2-amine;bis(6-methylquinoline);6-methylquinoxaline;6-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;7-methyl-[1,2,4]triazolo[1,5-a]pyridine;tris(2,4,6-trimethylpyridine)
CID 161014562
1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;3H-pyrrolo[2,3-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161635153
3-chloro-2-propan-2-ylthiophene;2,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-2-propan-2-ylimidazole;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine
CID 162269176
CID 162270126
CID 162270126
CID 162270999
CID 162270999
4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methyl-7-methylidene-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 162277779
CID 162280858
CID 162280858
CID 162280861
CID 162280861
1-chloro-4-fluoro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;3-fluoro-2-propan-2-ylimidazo[1,2-a]pyridine;5-fluoro-3-propan-2-yl-2H-indazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;5-methyl-3-propan-2-ylpyridin-2-amine;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-ylpyridin-2-amine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 162281454
1-chloro-4-fluoro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;3-fluoro-2-propan-2-ylimidazo[1,2-a]pyridine;5-fluoro-3-propan-2-yl-2H-indazole;1-(methoxymethyl)-4-propan-2-ylbenzene;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-ylpyridin-2-amine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 162281455
2-chloro-5-methyl-4-propan-2-ylpyridine;1,4-dichloro-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylindolizine;2-propan-2-ylpyrazine;5-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 162281457

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 162281458) is 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is CC(C)Cc1cc(C(C)C)n(C)n1.CC(C)c1cc2ccccn2n1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2ncnn12.CC(C)c1ccccc1C(C)(F)F.CC(C)c1ccccn1.CC(C)c1cnc(-c2ccccc2)[nH]1.CC(C)c1nccs1.CCCn1nc(C)cc1C(C)C.COCc1ccc(C(C)C)cc1.Cc1c(C(C)C)nnn1C.Cc1cc(C(C)C)ccc1F.Cc1cc(F)cnc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1ccc2n[nH]c(C(C)C)c2c1.Cc1cnc(C)c(C(C)C)c1.Cc1cnc(Cl)cc1C(C)C.Cc1nc(C(C)C)ncc1C(C)C.Cc1ncncc1C(C)C.
What is the InChIKey of 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RHOLXGOOQHVQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.2C12H15N.C11H14F2.C11H14N2.C11H20N2.C11H18N2.C11H16O.C10H13Cl.2C10H13F.C10H12N2.C10H18N2.C10H15N.C9H12ClN.C9H12FN.C9H11N3.C8H12N2.C8H11N.C7H13N3.C6H9NS/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-7(2)11-9-6-8(3)4-5-10(9)12-13-11;1-8(2)6-10-7-11(9(3)4)13(5)12-10;1-7(2)10-6-12-11(8(3)4)13-9(10)5;1-9(2)11-6-4-10(5-7-11)8-12-3;1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)10-6-9(11)5-4-8(10)3;1-8(2)10-7-9-5-3-4-6-12(9)11-10;1-5-6-12-10(8(2)3)7-9(4)11-12;1-7(2)10-5-8(3)6-11-9(10)4;1-6(2)8-4-9(10)11-5-7(8)3;1-6(2)9-7(3)4-8(10)5-11-9;1-7(2)8-4-3-5-9-10-6-11-12(8)9;1-6(2)8-4-9-5-10-7(8)3;1-7(2)8-5-3-4-6-9-8;1-5(2)7-6(3)10(4)9-8-7;1-5(2)6-7-3-4-8-6/h3-9H,1-2H3,(H,13,14);2*4-9H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);7-9H,6H2,1-5H3;6-8H,1-5H3;4-7,9H,8H2,1-3H3;3*4-7H,1-3H3;3-8H,1-2H3;7-8H,5-6H2,1-4H3;5-7H,1-4H3;2*4-6H,1-3H3;3-7H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;5H,1-4H3;3-5H,1-2H3.
What are the key properties of 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 3370.75 g/mol, XLogP of 59.04, 30 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 162281458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).