5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole

C24H19N5S — CID 137103043

About 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole

5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole (PubChem CID 137103043) has the molecular formula C24H19N5S and a molecular weight of 409.52 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole.

Molecular Properties

• Compound Name: 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole
• PubChem CID: 137103043
• Molecular Formula: C24H19N5S
• Molecular Weight: 409.52 g/mol
• Exact Mass: 409.14
• IUPAC Name: 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole
• SMILES: Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cccc5[nH]4)c3c2)n1C
• InChI: InChI=1S/C24H19N5S/c1-14-25-13-22(29(14)2)15-8-9-20-18(11-15)24(28-27-20)21-12-17-16(23-7-4-10-30-23)5-3-6-19(17)26-21/h3-13,26H,1-2H3,(H,27,28)
• InChIKey: NVYMTGXNFUKSGO-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 62.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.52
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole (CID 137103043) is 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole.

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

The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole is Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cccc5[nH]4)c3c2)n1C.

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

The InChIKey is NVYMTGXNFUKSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5S/c1-14-25-13-22(29(14)2)15-8-9-20-18(11-15)24(28-27-20)21-12-17-16(23-7-4-10-30-23)5-3-6-19(17)26-21/h3-13,26H,1-2H3,(H,27,28).

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

5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole has a molecular weight of 409.52 g/mol, XLogP of 6.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole is sourced from PubChem (CID 137103043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).