5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole

C26H20FN5 — CID 137115814

About 5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole

5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole (PubChem CID 137115814) has the molecular formula C26H20FN5 and a molecular weight of 421.48 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole.

Molecular Properties

• Compound Name: 5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole
• PubChem CID: 137115814
• Molecular Formula: C26H20FN5
• Molecular Weight: 421.48 g/mol
• Exact Mass: 421.17
• IUPAC Name: 5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole
• SMILES: Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)cccc5[nH]4)c3c2)n1C
• InChI: InChI=1S/C26H20FN5/c1-15-28-14-25(32(15)2)16-10-11-23-20(12-16)26(31-30-23)24-13-19-17(7-5-9-22(19)29-24)18-6-3-4-8-21(18)27/h3-14,29H,1-2H3,(H,30,31)
• InChIKey: TYUNUMIKZRRORV-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 62.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.48
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole?

The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole (CID 137115814) is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole.

What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole?

The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole is Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)cccc5[nH]4)c3c2)n1C.

What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole?

The InChIKey is TYUNUMIKZRRORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5/c1-15-28-14-25(32(15)2)16-10-11-23-20(12-16)26(31-30-23)24-13-19-17(7-5-9-22(19)29-24)18-6-3-4-8-21(18)27/h3-14,29H,1-2H3,(H,30,31).

What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole?

5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole has a molecular weight of 421.48 g/mol, XLogP of 6.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole is sourced from PubChem (CID 137115814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).