3-tert-butyl-4-fluoro-1H-indole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-5-fluoro-1-methylpyrazolo[5,4-b]pyridine;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;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;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;tris(2,2-dimethylpropane);ethane;fluoromethane;2-methyl-1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine

C184H256F5N29S3 — CID 167667618

About 3-tert-butyl-4-fluoro-1H-indole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-5-fluoro-1-methylpyrazolo[5,4-b]pyridine;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;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;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;tris(2,2-dimethylpropane);ethane;fluoromethane;2-methyl-1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine

3-tert-butyl-4-fluoro-1H-indole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-5-fluoro-1-methylpyrazolo[5,4-b]pyridine;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;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;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;tris(2,2-dimethylpropane);ethane;fluoromethane;2-methyl-1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine (PubChem CID 167667618) has the molecular formula C184H256F5N29S3 and a molecular weight of 3065.47 g/mol. Its IUPAC name is 3-tert-butyl-4-fluoro-1H-indole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-5-fluoro-1-methylpyrazolo[5,4-b]pyridine;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;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;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;tris(2,2-dimethylpropane);ethane;fluoromethane;2-methyl-1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 3-tert-butyl-4-fluoro-1H-indole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-5-fluoro-1-methylpyrazolo[5,4-b]pyridine;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;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;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;tris(2,2-dimethylpropane);ethane;fluoromethane;2-methyl-1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine
• PubChem CID: 167667618
• Molecular Formula: C184H256F5N29S3
• Molecular Weight: 3065.47 g/mol
• Exact Mass: 3063.00
• IUPAC Name: 3-tert-butyl-4-fluoro-1H-indole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-5-fluoro-1-methylpyrazolo[5,4-b]pyridine;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;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;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;tris(2,2-dimethylpropane);ethane;fluoromethane;2-methyl-1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine
• SMILES: CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1c[nH]c2cccc(F)c12.CC(C)(C)c1cnn2ccccc12.CF.Cc1cccc2ncc(C(C)(C)C)n12.Cc1nc2ccccc2s1.Cn1cc2c(C(C)(C)C)cccc2n1.Cn1ccc2c(C(C)(C)C)c(F)cnc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2c(C(C)(C)C)ccnc21.Cn1nc(C(C)(C)C)c2cc(F)cnc21.Cn1nc(C(C)(C)C)c2ccccc21.Cn1ncc2c(C(C)(C)C)ccc(F)c21.Cn1ncc2c(C(C)(C)C)ccnc21.Cn1ncc2cccc(C(C)(C)C)c21.c1cc2scnc2cn1.c1cnc2ncsc2c1
• InChI: InChI=1S/C13H17N.2C12H15FN2.C12H14FN.5C12H16N2.C11H14FN3.C11H15N3.C11H14N2.C8H7NS.2C6H4N2S.3C5H12.3C2H6.CH3F/c1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-12(2,3)9-5-6-10(13)11-8(9)7-14-15(11)4;1-12(2,3)10-8-5-6-15(4)11(8)14-7-9(10)13;1-12(2,3)8-7-14-10-6-4-5-9(13)11(8)10;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;1-9-6-5-7-11-13-8-10(14(9)11)12(2,3)4;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-11(2,3)9-8-5-7(12)6-13-10(8)15(4)14-9;1-11(2,3)9-5-6-12-10-8(9)7-13-14(10)4;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-6-9-7-4-2-3-5-8(7)10-6;1-2-7-3-5-6(1)9-4-8-5;1-2-5-6(7-3-1)8-4-9-5;3*1-5(2,3)4;4*1-2/h5-9H,1-4H3;2*5-7H,1-4H3;4-7,14H,1-3H3;5*5-8H,1-4H3;5-6H,1-4H3;5-7H,1-4H3;4-8H,1-3H3;2-5H,1H3;2*1-4H;3*1-4H3;3*1-2H3;1H3
• InChIKey: SWESLZAIGSQZOZ-UHFFFAOYSA-N
• XLogP: 50.63
• TPSA: 288.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3065.47
LogP ≤ 5	50.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-fluoro-1H-indole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-5-fluoro-1-methylpyrazolo[5,4-b]pyridine;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;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;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;tris(2,2-dimethylpropane);ethane;fluoromethane;2-methyl-1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine?

The IUPAC name of 3-tert-butyl-4-fluoro-1H-indole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-5-fluoro-1-methylpyrazolo[5,4-b]pyridine;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;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;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;tris(2,2-dimethylpropane);ethane;fluoromethane;2-methyl-1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine (CID 167667618) is 3-tert-butyl-4-fluoro-1H-indole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-5-fluoro-1-methylpyrazolo[5,4-b]pyridine;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;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;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;tris(2,2-dimethylpropane);ethane;fluoromethane;2-methyl-1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine.

What is the SMILES notation for 3-tert-butyl-4-fluoro-1H-indole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-5-fluoro-1-methylpyrazolo[5,4-b]pyridine;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;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;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;tris(2,2-dimethylpropane);ethane;fluoromethane;2-methyl-1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine?

The canonical SMILES for 3-tert-butyl-4-fluoro-1H-indole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-5-fluoro-1-methylpyrazolo[5,4-b]pyridine;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;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;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;tris(2,2-dimethylpropane);ethane;fluoromethane;2-methyl-1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine is CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1c[nH]c2cccc(F)c12.CC(C)(C)c1cnn2ccccc12.CF.Cc1cccc2ncc(C(C)(C)C)n12.Cc1nc2ccccc2s1.Cn1cc2c(C(C)(C)C)cccc2n1.Cn1ccc2c(C(C)(C)C)c(F)cnc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2c(C(C)(C)C)ccnc21.Cn1nc(C(C)(C)C)c2cc(F)cnc21.Cn1nc(C(C)(C)C)c2ccccc21.Cn1ncc2c(C(C)(C)C)ccc(F)c21.Cn1ncc2c(C(C)(C)C)ccnc21.Cn1ncc2cccc(C(C)(C)C)c21.c1cc2scnc2cn1.c1cnc2ncsc2c1.

What is the InChIKey of 3-tert-butyl-4-fluoro-1H-indole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-5-fluoro-1-methylpyrazolo[5,4-b]pyridine;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;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;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;tris(2,2-dimethylpropane);ethane;fluoromethane;2-methyl-1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine?

The InChIKey is SWESLZAIGSQZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.2C12H15FN2.C12H14FN.5C12H16N2.C11H14FN3.C11H15N3.C11H14N2.C8H7NS.2C6H4N2S.3C5H12.3C2H6.CH3F/c1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-12(2,3)9-5-6-10(13)11-8(9)7-14-15(11)4;1-12(2,3)10-8-5-6-15(4)11(8)14-7-9(10)13;1-12(2,3)8-7-14-10-6-4-5-9(13)11(8)10;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;1-9-6-5-7-11-13-8-10(14(9)11)12(2,3)4;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-11(2,3)9-8-5-7(12)6-13-10(8)15(4)14-9;1-11(2,3)9-5-6-12-10-8(9)7-13-14(10)4;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-6-9-7-4-2-3-5-8(7)10-6;1-2-7-3-5-6(1)9-4-8-5;1-2-5-6(7-3-1)8-4-9-5;3*1-5(2,3)4;4*1-2/h5-9H,1-4H3;2*5-7H,1-4H3;4-7,14H,1-3H3;5*5-8H,1-4H3;5-6H,1-4H3;5-7H,1-4H3;4-8H,1-3H3;2-5H,1H3;2*1-4H;3*1-4H3;3*1-2H3;1H3.

What are the key properties of 3-tert-butyl-4-fluoro-1H-indole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-5-fluoro-1-methylpyrazolo[5,4-b]pyridine;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;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;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;tris(2,2-dimethylpropane);ethane;fluoromethane;2-methyl-1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine?

3-tert-butyl-4-fluoro-1H-indole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-5-fluoro-1-methylpyrazolo[5,4-b]pyridine;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;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;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;tris(2,2-dimethylpropane);ethane;fluoromethane;2-methyl-1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 3065.47 g/mol, XLogP of 50.63, 0 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-4-fluoro-1H-indole;4-tert-butyl-7-fluoro-1-methylindazole;3-tert-butyl-5-fluoro-1-methylpyrazolo[5,4-b]pyridine;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;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;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;tris(2,2-dimethylpropane);ethane;fluoromethane;2-methyl-1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 167667618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).