5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

C253H287Cl3F11N39O5S3 — CID 159081061

IUPAC5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESC.C=C1COc2c(C#N)cc(C(C)C)cc2C1.C=C1COc2c(F)cc(C(C)C)cc2C1.C=C1COc2ccc(C(C)C)cc2C1.C=C1COc2ccc(C(C)C)nc2C1.C=C1COc2cnc(C(C)C)nc2C1.C=C1CSc2ccc(C(C)C)cc2C1.C=C1CSc2ccc(C(C)C)nc2C1.C=C1CSc2ncc(C(C)C)cc2C1.Cc1cc2[nH]c(C(C)C)c(C#N)c2cc1C#N.Cc1cc2[nH]c(C(C)C)c(C#N)c2cc1Cl.Cc1cc2[nH]c(C(C)C)c(C#N)c2cc1F.Cc1cc2[nH]c(C(C)C)nc2cc1C#N.Cc1cc2[nH]c(C(C)C)nc2cc1C(F)(F)F.Cc1cc2[nH]c(C(C)C)nc2cc1F.Cc1nc2[nH]c(C(C)C)c(C#N)c2cc1C#N.Cc1nc2[nH]c(C(C)C)c(C#N)c2cc1Cl.Cc1nc2[nH]c(C(C)C)c(C#N)c2cc1F.Cc1nc2nc(C(C)C)[nH]c2cc1C(F)(F)F.Cc1nc2nc(C(C)C)[nH]c2cc1F.Cc1ncc(C(C)C)cc1C#N.Cc1ncc(C(C)C)cc1Cl
InChIInChI=1S/C14H13N3.C14H15NO.C13H13ClN2.C13H13FN2.C13H15FO.C13H12N4.C13H16O.C13H16S.C12H12ClN3.C12H13F3N2.C12H12FN3.C12H13N3.C12H15NO.2C12H15NS.C11H12F3N3.C11H13FN2.C11H14N2O.C10H12FN3.C10H12N2.C9H12ClN.CH4/c1-8(2)14-12(7-16)11-5-10(6-15)9(3)4-13(11)17-14;1-9(2)11-5-12-4-10(3)8-16-14(12)13(6-11)7-15;2*1-7(2)13-10(6-15)9-5-11(14)8(3)4-12(9)16-13;1-8(2)10-5-11-4-9(3)7-15-13(11)12(14)6-10;1-7(2)12-11(6-15)10-4-9(5-14)8(3)16-13(10)17-12;2*1-9(2)11-4-5-13-12(7-11)6-10(3)8-14-13;1-6(2)11-9(5-14)8-4-10(13)7(3)15-12(8)16-11;1-6(2)11-16-9-4-7(3)8(12(13,14)15)5-10(9)17-11;1-6(2)11-9(5-14)8-4-10(13)7(3)15-12(8)16-11;1-7(2)12-14-10-4-8(3)9(6-13)5-11(10)15-12;1-8(2)10-4-5-12-11(13-10)6-9(3)7-14-12;1-8(2)11-5-10-4-9(3)7-14-12(10)13-6-11;1-8(2)10-4-5-12-11(13-10)6-9(3)7-14-12;1-5(2)9-16-8-4-7(11(12,13)14)6(3)15-10(8)17-9;1-6(2)11-13-9-4-7(3)8(12)5-10(9)14-11;1-7(2)11-12-5-10-9(13-11)4-8(3)6-14-10;1-5(2)9-13-8-4-7(11)6(3)12-10(8)14-9;1-7(2)10-4-9(5-11)8(3)12-6-10;1-6(2)8-4-9(10)7(3)11-5-8;/h4-5,8,17H,1-3H3;5-6,9H,3-4,8H2,1-2H3;2*4-5,7,16H,1-3H3;5-6,8H,3-4,7H2,1-2H3;4,7H,1-3H3,(H,16,17);2*4-5,7,9H,3,6,8H2,1-2H3;4,6H,1-3H3,(H,15,16);4-6H,1-3H3,(H,16,17);4,6H,1-3H3,(H,15,16);4-5,7H,1-3H3,(H,14,15);4-5,8H,3,6-7H2,1-2H3;5-6,8H,3-4,7H2,1-2H3;4-5,8H,3,6-7H2,1-2H3;4-5H,1-3H3,(H,15,16,17);4-6H,1-3H3,(H,13,14);5,7H,3-4,6H2,1-2H3;4-5H,1-3H3,(H,12,13,14);4,6-7H,1-3H3;4-6H,1-3H3;1H4
InChIKeyKAVZIMFBOSRCRH-UHFFFAOYSA-N
MW4365.88 g/mol
LogP68.02
Rot. Bonds21

About 5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 159081061) has the molecular formula C253H287Cl3F11N39O5S3 and a molecular weight of 4365.88 g/mol. Its IUPAC name is 5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID159081061
Molecular FormulaC253H287Cl3F11N39O5S3
Molecular Weight4365.88 g/mol
Exact Mass4361.15
IUPAC Name5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESC.C=C1COc2c(C#N)cc(C(C)C)cc2C1.C=C1COc2c(F)cc(C(C)C)cc2C1.C=C1COc2ccc(C(C)C)cc2C1.C=C1COc2ccc(C(C)C)nc2C1.C=C1COc2cnc(C(C)C)nc2C1.C=C1CSc2ccc(C(C)C)cc2C1.C=C1CSc2ccc(C(C)C)nc2C1.C=C1CSc2ncc(C(C)C)cc2C1.Cc1cc2[nH]c(C(C)C)c(C#N)c2cc1C#N.Cc1cc2[nH]c(C(C)C)c(C#N)c2cc1Cl.Cc1cc2[nH]c(C(C)C)c(C#N)c2cc1F.Cc1cc2[nH]c(C(C)C)nc2cc1C#N.Cc1cc2[nH]c(C(C)C)nc2cc1C(F)(F)F.Cc1cc2[nH]c(C(C)C)nc2cc1F.Cc1nc2[nH]c(C(C)C)c(C#N)c2cc1C#N.Cc1nc2[nH]c(C(C)C)c(C#N)c2cc1Cl.Cc1nc2[nH]c(C(C)C)c(C#N)c2cc1F.Cc1nc2nc(C(C)C)[nH]c2cc1C(F)(F)F.Cc1nc2nc(C(C)C)[nH]c2cc1F.Cc1ncc(C(C)C)cc1C#N.Cc1ncc(C(C)C)cc1Cl
InChIInChI=1S/C14H13N3.C14H15NO.C13H13ClN2.C13H13FN2.C13H15FO.C13H12N4.C13H16O.C13H16S.C12H12ClN3.C12H13F3N2.C12H12FN3.C12H13N3.C12H15NO.2C12H15NS.C11H12F3N3.C11H13FN2.C11H14N2O.C10H12FN3.C10H12N2.C9H12ClN.CH4/c1-8(2)14-12(7-16)11-5-10(6-15)9(3)4-13(11)17-14;1-9(2)11-5-12-4-10(3)8-16-14(12)13(6-11)7-15;2*1-7(2)13-10(6-15)9-5-11(14)8(3)4-12(9)16-13;1-8(2)10-5-11-4-9(3)7-15-13(11)12(14)6-10;1-7(2)12-11(6-15)10-4-9(5-14)8(3)16-13(10)17-12;2*1-9(2)11-4-5-13-12(7-11)6-10(3)8-14-13;1-6(2)11-9(5-14)8-4-10(13)7(3)15-12(8)16-11;1-6(2)11-16-9-4-7(3)8(12(13,14)15)5-10(9)17-11;1-6(2)11-9(5-14)8-4-10(13)7(3)15-12(8)16-11;1-7(2)12-14-10-4-8(3)9(6-13)5-11(10)15-12;1-8(2)10-4-5-12-11(13-10)6-9(3)7-14-12;1-8(2)11-5-10-4-9(3)7-14-12(10)13-6-11;1-8(2)10-4-5-12-11(13-10)6-9(3)7-14-12;1-5(2)9-16-8-4-7(11(12,13)14)6(3)15-10(8)17-9;1-6(2)11-13-9-4-7(3)8(12)5-10(9)14-11;1-7(2)11-12-5-10-9(13-11)4-8(3)6-14-10;1-5(2)9-13-8-4-7(11)6(3)12-10(8)14-9;1-7(2)10-4-9(5-11)8(3)12-6-10;1-6(2)8-4-9(10)7(3)11-5-8;/h4-5,8,17H,1-3H3;5-6,9H,3-4,8H2,1-2H3;2*4-5,7,16H,1-3H3;5-6,8H,3-4,7H2,1-2H3;4,7H,1-3H3,(H,16,17);2*4-5,7,9H,3,6,8H2,1-2H3;4,6H,1-3H3,(H,15,16);4-6H,1-3H3,(H,16,17);4,6H,1-3H3,(H,15,16);4-5,7H,1-3H3,(H,14,15);4-5,8H,3,6-7H2,1-2H3;5-6,8H,3-4,7H2,1-2H3;4-5,8H,3,6-7H2,1-2H3;4-5H,1-3H3,(H,15,16,17);4-6H,1-3H3,(H,13,14);5,7H,3-4,6H2,1-2H3;4-5H,1-3H3,(H,12,13,14);4,6-7H,1-3H3;4-6H,1-3H3;1H4
InChIKeyKAVZIMFBOSRCRH-UHFFFAOYSA-N
XLogP68.02
TPSA700.66 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms314
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004365.88
LogP ≤ 568.02
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (CID 159081061) is 5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is C.C=C1COc2c(C#N)cc(C(C)C)cc2C1.C=C1COc2c(F)cc(C(C)C)cc2C1.C=C1COc2ccc(C(C)C)cc2C1.C=C1COc2ccc(C(C)C)nc2C1.C=C1COc2cnc(C(C)C)nc2C1.C=C1CSc2ccc(C(C)C)cc2C1.C=C1CSc2ccc(C(C)C)nc2C1.C=C1CSc2ncc(C(C)C)cc2C1.Cc1cc2[nH]c(C(C)C)c(C#N)c2cc1C#N.Cc1cc2[nH]c(C(C)C)c(C#N)c2cc1Cl.Cc1cc2[nH]c(C(C)C)c(C#N)c2cc1F.Cc1cc2[nH]c(C(C)C)nc2cc1C#N.Cc1cc2[nH]c(C(C)C)nc2cc1C(F)(F)F.Cc1cc2[nH]c(C(C)C)nc2cc1F.Cc1nc2[nH]c(C(C)C)c(C#N)c2cc1C#N.Cc1nc2[nH]c(C(C)C)c(C#N)c2cc1Cl.Cc1nc2[nH]c(C(C)C)c(C#N)c2cc1F.Cc1nc2nc(C(C)C)[nH]c2cc1C(F)(F)F.Cc1nc2nc(C(C)C)[nH]c2cc1F.Cc1ncc(C(C)C)cc1C#N.Cc1ncc(C(C)C)cc1Cl.
What is the InChIKey of 5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is KAVZIMFBOSRCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3.C14H15NO.C13H13ClN2.C13H13FN2.C13H15FO.C13H12N4.C13H16O.C13H16S.C12H12ClN3.C12H13F3N2.C12H12FN3.C12H13N3.C12H15NO.2C12H15NS.C11H12F3N3.C11H13FN2.C11H14N2O.C10H12FN3.C10H12N2.C9H12ClN.CH4/c1-8(2)14-12(7-16)11-5-10(6-15)9(3)4-13(11)17-14;1-9(2)11-5-12-4-10(3)8-16-14(12)13(6-11)7-15;2*1-7(2)13-10(6-15)9-5-11(14)8(3)4-12(9)16-13;1-8(2)10-5-11-4-9(3)7-15-13(11)12(14)6-10;1-7(2)12-11(6-15)10-4-9(5-14)8(3)16-13(10)17-12;2*1-9(2)11-4-5-13-12(7-11)6-10(3)8-14-13;1-6(2)11-9(5-14)8-4-10(13)7(3)15-12(8)16-11;1-6(2)11-16-9-4-7(3)8(12(13,14)15)5-10(9)17-11;1-6(2)11-9(5-14)8-4-10(13)7(3)15-12(8)16-11;1-7(2)12-14-10-4-8(3)9(6-13)5-11(10)15-12;1-8(2)10-4-5-12-11(13-10)6-9(3)7-14-12;1-8(2)11-5-10-4-9(3)7-14-12(10)13-6-11;1-8(2)10-4-5-12-11(13-10)6-9(3)7-14-12;1-5(2)9-16-8-4-7(11(12,13)14)6(3)15-10(8)17-9;1-6(2)11-13-9-4-7(3)8(12)5-10(9)14-11;1-7(2)11-12-5-10-9(13-11)4-8(3)6-14-10;1-5(2)9-13-8-4-7(11)6(3)12-10(8)14-9;1-7(2)10-4-9(5-11)8(3)12-6-10;1-6(2)8-4-9(10)7(3)11-5-8;/h4-5,8,17H,1-3H3;5-6,9H,3-4,8H2,1-2H3;2*4-5,7,16H,1-3H3;5-6,8H,3-4,7H2,1-2H3;4,7H,1-3H3,(H,16,17);2*4-5,7,9H,3,6,8H2,1-2H3;4,6H,1-3H3,(H,15,16);4-6H,1-3H3,(H,16,17);4,6H,1-3H3,(H,15,16);4-5,7H,1-3H3,(H,14,15);4-5,8H,3,6-7H2,1-2H3;5-6,8H,3-4,7H2,1-2H3;4-5,8H,3,6-7H2,1-2H3;4-5H,1-3H3,(H,15,16,17);4-6H,1-3H3,(H,13,14);5,7H,3-4,6H2,1-2H3;4-5H,1-3H3,(H,12,13,14);4,6-7H,1-3H3;4-6H,1-3H3;1H4.
What are the key properties of 5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 4365.88 g/mol, XLogP of 68.02, 21 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;3-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;6-fluoro-5-methyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-fluoro-6-methyl-2-propan-2-yl-1H-indole-3-carbonitrile;5-fluoro-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;methane;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;6-methyl-2-propan-2-yl-1H-benzimidazole-5-carbonitrile;6-methyl-2-propan-2-yl-1H-indole-3,5-dicarbonitrile;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole;5-methyl-2-propan-2-yl-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 159081061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).