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

C218H309Cl3F10N28OS2 — CID 162269176

IUPAC3-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
SMILESC.C.C.C.C.CC(C)c1[nH]nc2ccc(F)cc12.CC(C)c1cc(Cl)ncc1Cl.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cccc2ncnn12.CC(C)c1ccccc1C(C)(F)F.CC(C)c1cccn1C.CC(C)c1ccncc1C(F)(F)F.CC(C)c1cnc(-c2ccccc2)[nH]1.CC(C)c1ncc(F)cc1F.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1nccs1.CC(C)c1sccc1Cl.COc1cccc(C(C)C)c1C.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C)n2nc(C(C)C)nc2n1.Cc1ccc(C(C)C)c(C)c1.Cc1cccc(C(C)C)n1.Cc1cnc(N)c(C(C)C)c1.Cc1cnccc1C(C)C.Cc1nc(C(C)C)ncc1C(C)C.Cc1ncccc1C(C)C
InChIInChI=1S/C12H14N2.C11H14F2.C11H15F.C11H18N2.C11H13N.C11H16O.C11H16.C10H11FN2.C10H13F.C10H14N4.C9H10F3N.C9H11N3.C9H14N2.3C9H13N.C8H9Cl2N.C8H9F2N.C8H13N.C7H9ClS.C7H12N2.C7H10N2.C6H9NS.5CH4/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-7(2)10-5-8(3)11(12)9(4)6-10;1-7(2)10-6-12-11(8(3)4)13-9(10)5;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-6-5-7-11(12-4)9(10)3;1-8(2)11-6-5-9(3)7-10(11)4;1-6(2)10-8-5-7(11)3-4-9(8)12-13-10;1-7(2)9-4-5-10(11)8(3)6-9;1-6(2)9-12-10-11-7(3)5-8(4)14(10)13-9;1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)8-4-3-5-9-10-6-11-12(8)9;1-6(2)8-4-7(3)5-11-9(8)10;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-5(2)6-3-8(10)11-4-7(6)9;1-5(2)8-7(10)3-6(9)4-11-8;1-7(2)8-5-4-6-9(8)3;1-5(2)7-6(8)3-4-9-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-8-4-3-5-9-7;1-5(2)6-7-3-4-8-6;;;;;/h3-9H,1-2H3,(H,13,14);4-8H,1-3H3;5-7H,1-4H3;6-8H,1-5H3;3-8,12H,1-2H3;5-8H,1-4H3;5-8H,1-4H3;3-6H,1-2H3,(H,12,13);4-7H,1-3H3;5-6H,1-4H3;3-6H,1-2H3;3-7H,1-2H3;4-6H,1-3H3,(H2,10,11);3*4-7H,1-3H3;2*3-5H,1-2H3;4-7H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;5*1H4
InChIKeyXCDAPEDUTVEJEN-UHFFFAOYSA-N
MW3698.54 g/mol
LogP66.48
Rot. Bonds27

About 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

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 (PubChem CID 162269176) has the molecular formula C218H309Cl3F10N28OS2 and a molecular weight of 3698.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID162269176
Molecular FormulaC218H309Cl3F10N28OS2
Molecular Weight3698.54 g/mol
Exact Mass3694.33
IUPAC Name3-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
SMILESC.C.C.C.C.CC(C)c1[nH]nc2ccc(F)cc12.CC(C)c1cc(Cl)ncc1Cl.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cccc2ncnn12.CC(C)c1ccccc1C(C)(F)F.CC(C)c1cccn1C.CC(C)c1ccncc1C(F)(F)F.CC(C)c1cnc(-c2ccccc2)[nH]1.CC(C)c1ncc(F)cc1F.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1nccs1.CC(C)c1sccc1Cl.COc1cccc(C(C)C)c1C.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C)n2nc(C(C)C)nc2n1.Cc1ccc(C(C)C)c(C)c1.Cc1cccc(C(C)C)n1.Cc1cnc(N)c(C(C)C)c1.Cc1cnccc1C(C)C.Cc1nc(C(C)C)ncc1C(C)C.Cc1ncccc1C(C)C
InChIInChI=1S/C12H14N2.C11H14F2.C11H15F.C11H18N2.C11H13N.C11H16O.C11H16.C10H11FN2.C10H13F.C10H14N4.C9H10F3N.C9H11N3.C9H14N2.3C9H13N.C8H9Cl2N.C8H9F2N.C8H13N.C7H9ClS.C7H12N2.C7H10N2.C6H9NS.5CH4/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-7(2)10-5-8(3)11(12)9(4)6-10;1-7(2)10-6-12-11(8(3)4)13-9(10)5;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-6-5-7-11(12-4)9(10)3;1-8(2)11-6-5-9(3)7-10(11)4;1-6(2)10-8-5-7(11)3-4-9(8)12-13-10;1-7(2)9-4-5-10(11)8(3)6-9;1-6(2)9-12-10-11-7(3)5-8(4)14(10)13-9;1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)8-4-3-5-9-10-6-11-12(8)9;1-6(2)8-4-7(3)5-11-9(8)10;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-5(2)6-3-8(10)11-4-7(6)9;1-5(2)8-7(10)3-6(9)4-11-8;1-7(2)8-5-4-6-9(8)3;1-5(2)7-6(8)3-4-9-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-8-4-3-5-9-7;1-5(2)6-7-3-4-8-6;;;;;/h3-9H,1-2H3,(H,13,14);4-8H,1-3H3;5-7H,1-4H3;6-8H,1-5H3;3-8,12H,1-2H3;5-8H,1-4H3;5-8H,1-4H3;3-6H,1-2H3,(H,12,13);4-7H,1-3H3;5-6H,1-4H3;3-6H,1-2H3;3-7H,1-2H3;4-6H,1-3H3,(H2,10,11);3*4-7H,1-3H3;2*3-5H,1-2H3;4-7H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;5*1H4
InChIKeyXCDAPEDUTVEJEN-UHFFFAOYSA-N
XLogP66.48
TPSA359.10 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003698.54
LogP ≤ 566.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157335544
CID 157335544
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
4-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1,2-dimethylbenzimidazole;6-fluoro-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;(4-methylcyclohexyl)benzene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylisoquinoline;3-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;2-methyl-6-(trifluoromethoxy)-1,3-benzothiazole;2,5,6-trimethyl-1H-benzimidazole
CID 157546607
4-chloro-2-methyl-1,3-benzothiazole;1,2-dimethylbenzimidazole;bis(2,3-dimethylquinoline);fluoromethane;2-methyl-1H-benzimidazole;bis(2-methyl-1,3-benzothiazole);6-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;(4-methylcyclohexyl)benzene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1,2-dihydroquinoline;methyl hypochlorite;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methylisoquinoline;6-methylquinoline;2-methyl-6-(trifluoromethoxy)-1,3-benzothiazole;2,5,6-trimethyl-1H-benzimidazole
CID 157907059
bis(1H-benzimidazole);5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;4-(1,1-difluoroethyl)pyridine;N,N-dimethylpyridin-3-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;2-fluoro-3-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);2-methylpyridine;bis(3-methylpyridine);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
CID 158030834
2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-methoxy-4-methylthiophene;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole
CID 158394229
4-(2-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(3H-pyrrol-2-yl)-1,3-thiazole;4-(2-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(3H-pyrrol-2-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-4-(oxan-4-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 158936950
tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-1,3-benzodioxole;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;3-methyl-1H-indole;6-methyl-1H-isoindole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,6-trimethyl-1H-isoindole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole
CID 159232164
4-(2-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2-fluorophenyl)-5-(4H-imidazol-5-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-5-yl)-4-(2-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 159308894
1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 159498526
N-benzyl-5-(1-methyl-3-phenylpyrazol-5-yl)pyridin-2-amine;N-[(2-chlorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2-chlorophenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine;N-[(2,6-difluorophenyl)methyl]-5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridin-2-amine
CID 159553699
1H-benzimidazole;5-(1,1-difluoroethyl)-1H-pyrazole;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;imidazo[1,2-a]pyridine;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;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine
CID 159652200

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.CC(C)c1[nH]nc2ccc(F)cc12.CC(C)c1cc(Cl)ncc1Cl.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cccc2ncnn12.CC(C)c1ccccc1C(C)(F)F.CC(C)c1cccn1C.CC(C)c1ccncc1C(F)(F)F.CC(C)c1cnc(-c2ccccc2)[nH]1.CC(C)c1ncc(F)cc1F.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1nccs1.CC(C)c1sccc1Cl.COc1cccc(C(C)C)c1C.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C)n2nc(C(C)C)nc2n1.Cc1ccc(C(C)C)c(C)c1.Cc1cccc(C(C)C)n1.Cc1cnc(N)c(C(C)C)c1.Cc1cnccc1C(C)C.Cc1nc(C(C)C)ncc1C(C)C.Cc1ncccc1C(C)C.
What is the InChIKey of 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?
The InChIKey is XCDAPEDUTVEJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C11H14F2.C11H15F.C11H18N2.C11H13N.C11H16O.C11H16.C10H11FN2.C10H13F.C10H14N4.C9H10F3N.C9H11N3.C9H14N2.3C9H13N.C8H9Cl2N.C8H9F2N.C8H13N.C7H9ClS.C7H12N2.C7H10N2.C6H9NS.5CH4/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-7(2)10-5-8(3)11(12)9(4)6-10;1-7(2)10-6-12-11(8(3)4)13-9(10)5;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-6-5-7-11(12-4)9(10)3;1-8(2)11-6-5-9(3)7-10(11)4;1-6(2)10-8-5-7(11)3-4-9(8)12-13-10;1-7(2)9-4-5-10(11)8(3)6-9;1-6(2)9-12-10-11-7(3)5-8(4)14(10)13-9;1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)8-4-3-5-9-10-6-11-12(8)9;1-6(2)8-4-7(3)5-11-9(8)10;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-5(2)6-3-8(10)11-4-7(6)9;1-5(2)8-7(10)3-6(9)4-11-8;1-7(2)8-5-4-6-9(8)3;1-5(2)7-6(8)3-4-9-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-8-4-3-5-9-7;1-5(2)6-7-3-4-8-6;;;;;/h3-9H,1-2H3,(H,13,14);4-8H,1-3H3;5-7H,1-4H3;6-8H,1-5H3;3-8,12H,1-2H3;5-8H,1-4H3;5-8H,1-4H3;3-6H,1-2H3,(H,12,13);4-7H,1-3H3;5-6H,1-4H3;3-6H,1-2H3;3-7H,1-2H3;4-6H,1-3H3,(H2,10,11);3*4-7H,1-3H3;2*3-5H,1-2H3;4-7H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;5*1H4.
What are the key properties of 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?
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 has a molecular weight of 3698.54 g/mol, XLogP of 66.48, 27 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162269176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).