6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine

C342H438F9N53OS8 — CID 167564541

IUPAC6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)c1c[nH]c2cccc(F)c12.CC(C)(C)c1cc2scnc2cn1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc2ncsc12.CC(C)(C)c1ccnc2c1ccn2CC(F)(F)F.CC(C)(C)c1cnc2ncsc2c1.CC(C)(C)c1cnn2cccc(F)c12.CC(C)(C)c1noc2ccccc12.Cc1c(C(C)(C)C)ccc2ncsc12.Cc1cc(C(C)(C)C)c2cnn(C)c2n1.Cc1cc(C(C)(C)C)cc2scnc12.Cc1cc(F)c2c(C(C)(C)C)[nH]nc2c1.Cc1cc(F)c2c(C(C)(C)C)cnn2c1.Cc1cc(F)c2c(C(C)(C)C)nn(C)c2c1.Cc1cc2ncsc2cc1C(C)(C)C.Cc1ccc2c(c1)c(C(C)(C)C)nn2C.Cc1cccc2ncc(C(C)(C)C)n12.Cc1cccn2ncc(C(C)(C)C)c12.Cc1cnc2c(ccn2C)c1C(C)(C)C.Cc1cnc2n[nH]c(C(C)(C)C)c2c1.Cc1nc2ccc(C(C)(C)C)cc2s1.Cn1cc2c(C(C)(C)C)cccc2n1.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2c(C(C)(C)C)ccnc21.Cn1nc(C(C)(C)C)c2ccccc21.Cn1nc(C(C)(C)C)c2cccnc21.Cn1ncc2c(C(C)(C)C)ccc(F)c21.Cn1ncc2c(C(C)(C)C)ccnc21.Cn1ncc2cccc(C(C)(C)C)c21
InChIInChI=1S/C13H15F3N2.C13H17FN2.2C13H18N2.C13H17N.3C12H15FN2.C12H14FN.C12H17N3.6C12H16N2.4C12H15NS.C11H13FN2.3C11H15N3.C11H13NO.2C11H13NS.2C10H12N2S/c1-12(2,3)10-4-6-17-11-9(10)5-7-18(11)8-13(14,15)16;1-8-6-9(14)11-10(7-8)16(5)15-12(11)13(2,3)4;1-9-8-14-12-10(6-7-15(12)5)11(9)13(2,3)4;1-9-6-7-11-10(8-9)12(13(2,3)4)14-15(11)5;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-8-5-10(13)11-9(12(2,3)4)6-14-15(11)7-8;1-7-5-8(13)10-9(6-7)14-15-11(10)12(2,3)4;1-12(2,3)9-5-6-10(13)11-8(9)7-14-15(11)4;1-12(2,3)8-7-14-10-6-4-5-9(13)11(8)10;1-8-6-10(12(2,3)4)9-7-13-15(5)11(9)14-8;1-12(2,3)10-5-7-13-11-9(10)6-8-14(11)4;1-12(2,3)10-6-5-7-11-9(10)8-14(4)13-11;1-12(2,3)10-7-5-6-9-8-13-14(4)11(9)10;1-9-6-5-7-14-11(9)10(8-13-14)12(2,3)4;1-9-6-5-7-11-13-8-10(14(9)11)12(2,3)4;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-8-5-10-11(14-7-13-10)6-9(8)12(2,3)4;1-8-5-9(12(2,3)4)6-10-11(8)13-7-14-10;1-8-9(12(2,3)4)5-6-10-11(8)14-7-13-10;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-11(2,3)8-7-13-14-6-4-5-9(12)10(8)14;1-7-5-8-9(11(2,3)4)13-14-10(8)12-6-7;1-11(2,3)9-5-6-12-10-8(9)7-13-14(10)4;1-11(2,3)9-8-6-5-7-12-10(8)14(4)13-9;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-10(2,3)9-4-8-7(5-11-9)12-6-13-8;1-10(2,3)7-4-8-9(11-5-7)12-6-13-8/h4-7H,8H2,1-3H3;6-7H,1-5H3;2*6-8H,1-5H3;5-9H,1-4H3;5-7H,1-4H3;5-6H,1-4H3,(H,14,15);5-7H,1-4H3;4-7,14H,1-3H3;6-7H,1-5H3;6*5-8H,1-4H3;4*5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3,(H,12,13,14);2*5-7H,1-4H3;3*4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyFCKGVOCGUNYJOB-UHFFFAOYSA-N
MW5735.15 g/mol
LogP91.75
Rot. Bonds1

About 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine

6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine (PubChem CID 167564541) has the molecular formula C342H438F9N53OS8 and a molecular weight of 5735.15 g/mol. Its IUPAC name is 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine
PubChem CID167564541
Molecular FormulaC342H438F9N53OS8
Molecular Weight5735.15 g/mol
Exact Mass5730.35
IUPAC Name6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)c1c[nH]c2cccc(F)c12.CC(C)(C)c1cc2scnc2cn1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc2ncsc12.CC(C)(C)c1ccnc2c1ccn2CC(F)(F)F.CC(C)(C)c1cnc2ncsc2c1.CC(C)(C)c1cnn2cccc(F)c12.CC(C)(C)c1noc2ccccc12.Cc1c(C(C)(C)C)ccc2ncsc12.Cc1cc(C(C)(C)C)c2cnn(C)c2n1.Cc1cc(C(C)(C)C)cc2scnc12.Cc1cc(F)c2c(C(C)(C)C)[nH]nc2c1.Cc1cc(F)c2c(C(C)(C)C)cnn2c1.Cc1cc(F)c2c(C(C)(C)C)nn(C)c2c1.Cc1cc2ncsc2cc1C(C)(C)C.Cc1ccc2c(c1)c(C(C)(C)C)nn2C.Cc1cccc2ncc(C(C)(C)C)n12.Cc1cccn2ncc(C(C)(C)C)c12.Cc1cnc2c(ccn2C)c1C(C)(C)C.Cc1cnc2n[nH]c(C(C)(C)C)c2c1.Cc1nc2ccc(C(C)(C)C)cc2s1.Cn1cc2c(C(C)(C)C)cccc2n1.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2c(C(C)(C)C)ccnc21.Cn1nc(C(C)(C)C)c2ccccc21.Cn1nc(C(C)(C)C)c2cccnc21.Cn1ncc2c(C(C)(C)C)ccc(F)c21.Cn1ncc2c(C(C)(C)C)ccnc21.Cn1ncc2cccc(C(C)(C)C)c21
InChIInChI=1S/C13H15F3N2.C13H17FN2.2C13H18N2.C13H17N.3C12H15FN2.C12H14FN.C12H17N3.6C12H16N2.4C12H15NS.C11H13FN2.3C11H15N3.C11H13NO.2C11H13NS.2C10H12N2S/c1-12(2,3)10-4-6-17-11-9(10)5-7-18(11)8-13(14,15)16;1-8-6-9(14)11-10(7-8)16(5)15-12(11)13(2,3)4;1-9-8-14-12-10(6-7-15(12)5)11(9)13(2,3)4;1-9-6-7-11-10(8-9)12(13(2,3)4)14-15(11)5;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-8-5-10(13)11-9(12(2,3)4)6-14-15(11)7-8;1-7-5-8(13)10-9(6-7)14-15-11(10)12(2,3)4;1-12(2,3)9-5-6-10(13)11-8(9)7-14-15(11)4;1-12(2,3)8-7-14-10-6-4-5-9(13)11(8)10;1-8-6-10(12(2,3)4)9-7-13-15(5)11(9)14-8;1-12(2,3)10-5-7-13-11-9(10)6-8-14(11)4;1-12(2,3)10-6-5-7-11-9(10)8-14(4)13-11;1-12(2,3)10-7-5-6-9-8-13-14(4)11(9)10;1-9-6-5-7-14-11(9)10(8-13-14)12(2,3)4;1-9-6-5-7-11-13-8-10(14(9)11)12(2,3)4;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-8-5-10-11(14-7-13-10)6-9(8)12(2,3)4;1-8-5-9(12(2,3)4)6-10-11(8)13-7-14-10;1-8-9(12(2,3)4)5-6-10-11(8)14-7-13-10;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-11(2,3)8-7-13-14-6-4-5-9(12)10(8)14;1-7-5-8-9(11(2,3)4)13-14-10(8)12-6-7;1-11(2,3)9-5-6-12-10-8(9)7-13-14(10)4;1-11(2,3)9-8-6-5-7-12-10(8)14(4)13-9;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-10(2,3)9-4-8-7(5-11-9)12-6-13-8;1-10(2,3)7-4-8-9(11-5-7)12-6-13-8/h4-7H,8H2,1-3H3;6-7H,1-5H3;2*6-8H,1-5H3;5-9H,1-4H3;5-7H,1-4H3;5-6H,1-4H3,(H,14,15);5-7H,1-4H3;4-7,14H,1-3H3;6-7H,1-5H3;6*5-8H,1-4H3;4*5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3,(H,12,13,14);2*5-7H,1-4H3;3*4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyFCKGVOCGUNYJOB-UHFFFAOYSA-N
XLogP91.75
TPSA567.61 Ų
H-Bond Donors3
H-Bond Acceptors59
Rotatable Bonds1
Heavy Atoms413
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005735.15
LogP ≤ 591.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1059

Analyze 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine (CID 167564541) is 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine is CC(C)(C)c1c[nH]c2cccc(F)c12.CC(C)(C)c1cc2scnc2cn1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc2ncsc12.CC(C)(C)c1ccnc2c1ccn2CC(F)(F)F.CC(C)(C)c1cnc2ncsc2c1.CC(C)(C)c1cnn2cccc(F)c12.CC(C)(C)c1noc2ccccc12.Cc1c(C(C)(C)C)ccc2ncsc12.Cc1cc(C(C)(C)C)c2cnn(C)c2n1.Cc1cc(C(C)(C)C)cc2scnc12.Cc1cc(F)c2c(C(C)(C)C)[nH]nc2c1.Cc1cc(F)c2c(C(C)(C)C)cnn2c1.Cc1cc(F)c2c(C(C)(C)C)nn(C)c2c1.Cc1cc2ncsc2cc1C(C)(C)C.Cc1ccc2c(c1)c(C(C)(C)C)nn2C.Cc1cccc2ncc(C(C)(C)C)n12.Cc1cccn2ncc(C(C)(C)C)c12.Cc1cnc2c(ccn2C)c1C(C)(C)C.Cc1cnc2n[nH]c(C(C)(C)C)c2c1.Cc1nc2ccc(C(C)(C)C)cc2s1.Cn1cc2c(C(C)(C)C)cccc2n1.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2c(C(C)(C)C)ccnc21.Cn1nc(C(C)(C)C)c2ccccc21.Cn1nc(C(C)(C)C)c2cccnc21.Cn1ncc2c(C(C)(C)C)ccc(F)c21.Cn1ncc2c(C(C)(C)C)ccnc21.Cn1ncc2cccc(C(C)(C)C)c21.
What is the InChIKey of 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is FCKGVOCGUNYJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2.C13H17FN2.2C13H18N2.C13H17N.3C12H15FN2.C12H14FN.C12H17N3.6C12H16N2.4C12H15NS.C11H13FN2.3C11H15N3.C11H13NO.2C11H13NS.2C10H12N2S/c1-12(2,3)10-4-6-17-11-9(10)5-7-18(11)8-13(14,15)16;1-8-6-9(14)11-10(7-8)16(5)15-12(11)13(2,3)4;1-9-8-14-12-10(6-7-15(12)5)11(9)13(2,3)4;1-9-6-7-11-10(8-9)12(13(2,3)4)14-15(11)5;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-8-5-10(13)11-9(12(2,3)4)6-14-15(11)7-8;1-7-5-8(13)10-9(6-7)14-15-11(10)12(2,3)4;1-12(2,3)9-5-6-10(13)11-8(9)7-14-15(11)4;1-12(2,3)8-7-14-10-6-4-5-9(13)11(8)10;1-8-6-10(12(2,3)4)9-7-13-15(5)11(9)14-8;1-12(2,3)10-5-7-13-11-9(10)6-8-14(11)4;1-12(2,3)10-6-5-7-11-9(10)8-14(4)13-11;1-12(2,3)10-7-5-6-9-8-13-14(4)11(9)10;1-9-6-5-7-14-11(9)10(8-13-14)12(2,3)4;1-9-6-5-7-11-13-8-10(14(9)11)12(2,3)4;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-8-5-10-11(14-7-13-10)6-9(8)12(2,3)4;1-8-5-9(12(2,3)4)6-10-11(8)13-7-14-10;1-8-9(12(2,3)4)5-6-10-11(8)14-7-13-10;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-11(2,3)8-7-13-14-6-4-5-9(12)10(8)14;1-7-5-8-9(11(2,3)4)13-14-10(8)12-6-7;1-11(2,3)9-5-6-12-10-8(9)7-13-14(10)4;1-11(2,3)9-8-6-5-7-12-10(8)14(4)13-9;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-10(2,3)9-4-8-7(5-11-9)12-6-13-8;1-10(2,3)7-4-8-9(11-5-7)12-6-13-8/h4-7H,8H2,1-3H3;6-7H,1-5H3;2*6-8H,1-5H3;5-9H,1-4H3;5-7H,1-4H3;5-6H,1-4H3,(H,14,15);5-7H,1-4H3;4-7,14H,1-3H3;6-7H,1-5H3;6*5-8H,1-4H3;4*5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3,(H,12,13,14);2*5-7H,1-4H3;3*4-7H,1-3H3;2*4-6H,1-3H3.
What are the key properties of 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine?
6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 5735.15 g/mol, XLogP of 91.75, 1 rotatable bonds, 3 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindazole;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,5-dimethylpyrrolo[2,3-b]pyridine;3-tert-butyl-4-fluoro-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-4-fluoro-6-methyl-2H-indazole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-4-fluoro-6-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-4-fluoropyrazolo[1,5-a]pyridine;6-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-4-methyl-1,3-benzothiazole;6-tert-butyl-5-methyl-1,3-benzothiazole;6-tert-butyl-7-methyl-1,3-benzothiazole;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-4-methylpyrazolo[1,5-a]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 167564541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).