5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine

C133H128FN39O2S3 — CID 159614717

About 5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine

5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 159614717) has the molecular formula C133H128FN39O2S3 and a molecular weight of 2419.96 g/mol. Its IUPAC name is 5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

• Compound Name: 5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine
• PubChem CID: 159614717
• Molecular Formula: C133H128FN39O2S3
• Molecular Weight: 2419.96 g/mol
• Exact Mass: 2418.03
• IUPAC Name: 5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine
• SMILES: Cc1[nH]cnc1-c1ccccc1.Cc1c[nH]c2ccc(F)cc12.Cc1c[nH]c2ccc(O)cc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ncccc12.Cc1ccc2n[nH]nc2c1.Cc1ccc2snnc2c1.Cc1cccc2n[nH]nc12.Cc1cn2ccccc2n1.Cc1cnc(-c2ccccc2)[nH]1.Cc1cnn2ccccc12.Cc1nc(-c2ccccc2)no1.Cc1nc2ccccc2s1.Cc1nc2ncncc2[nH]1.Cc1ncc2[nH]cnc2n1.Cc1ncnc2nc[nH]c12.Cc1ncnc2scnc12
• InChI: InChI=1S/2C10H10N2.C9H8FN.C9H8N2O.C9H9NO.C9H9N.3C8H8N2.C8H7NS.2C7H7N3.C7H6N2S.3C6H6N4.C6H5N3S/c1-8-10(12-7-11-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-6-5-11-9-3-2-7(10)4-8(6)9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-6-5-10-9-3-2-7(11)4-8(6)9;1-7-6-10-9-5-3-2-4-8(7)9;1-6-5-10-8-7(6)3-2-4-9-8;1-7-6-10-5-3-2-4-8(10)9-7;1-7-6-9-10-5-3-2-4-8(7)10;1-6-9-7-4-2-3-5-8(7)10-6;1-5-2-3-6-7(4-5)9-10-8-6;1-5-3-2-4-6-7(5)9-10-8-6;1-5-2-3-7-6(4-5)8-9-10-7;1-4-5-6(9-2-7-4)10-3-8-5;1-4-7-2-5-6(10-4)9-3-8-5;1-4-9-5-2-7-3-8-6(5)10-4;1-4-5-6(8-2-7-4)10-3-9-5/h2*2-7H,1H3,(H,11,12);2-5,11H,1H3;2-6H,1H3;2-5,10-11H,1H3;2-6,10H,1H3;2-5H,1H3,(H,9,10);2*2-6H,1H3;2-5H,1H3;2*2-4H,1H3,(H,8,9,10);2-4H,1H3;3*2-3H,1H3,(H,7,8,9,10);2-3H,1H3
• InChIKey: MNDINLGEJSCDCI-UHFFFAOYSA-N
• XLogP: 29.76
• TPSA: 551.02 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 3
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2419.96
LogP ≤ 5	29.76
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine?

The IUPAC name of 5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine (CID 159614717) is 5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine.

What is the SMILES notation for 5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine?

The canonical SMILES for 5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine is Cc1[nH]cnc1-c1ccccc1.Cc1c[nH]c2ccc(F)cc12.Cc1c[nH]c2ccc(O)cc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ncccc12.Cc1ccc2n[nH]nc2c1.Cc1ccc2snnc2c1.Cc1cccc2n[nH]nc12.Cc1cn2ccccc2n1.Cc1cnc(-c2ccccc2)[nH]1.Cc1cnn2ccccc12.Cc1nc(-c2ccccc2)no1.Cc1nc2ccccc2s1.Cc1nc2ncncc2[nH]1.Cc1ncc2[nH]cnc2n1.Cc1ncnc2nc[nH]c12.Cc1ncnc2scnc12.

What is the InChIKey of 5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine?

The InChIKey is MNDINLGEJSCDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10N2.C9H8FN.C9H8N2O.C9H9NO.C9H9N.3C8H8N2.C8H7NS.2C7H7N3.C7H6N2S.3C6H6N4.C6H5N3S/c1-8-10(12-7-11-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-6-5-11-9-3-2-7(10)4-8(6)9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-6-5-10-9-3-2-7(11)4-8(6)9;1-7-6-10-9-5-3-2-4-8(7)9;1-6-5-10-8-7(6)3-2-4-9-8;1-7-6-10-5-3-2-4-8(10)9-7;1-7-6-9-10-5-3-2-4-8(7)10;1-6-9-7-4-2-3-5-8(7)10-6;1-5-2-3-6-7(4-5)9-10-8-6;1-5-3-2-4-6-7(5)9-10-8-6;1-5-2-3-7-6(4-5)8-9-10-7;1-4-5-6(9-2-7-4)10-3-8-5;1-4-7-2-5-6(10-4)9-3-8-5;1-4-9-5-2-7-3-8-6(5)10-4;1-4-5-6(8-2-7-4)10-3-9-5/h2*2-7H,1H3,(H,11,12);2-5,11H,1H3;2-6H,1H3;2-5,10-11H,1H3;2-6,10H,1H3;2-5H,1H3,(H,9,10);2*2-6H,1H3;2-5H,1H3;2*2-4H,1H3,(H,8,9,10);2-4H,1H3;3*2-3H,1H3,(H,7,8,9,10);2-3H,1H3.

What are the key properties of 5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine?

5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 2419.96 g/mol, XLogP of 29.76, 3 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 159614717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).