1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid

C25H23F3N4O3 — CID 58591239

About 1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid

1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid (PubChem CID 58591239) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is 1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid
• PubChem CID: 58591239
• Molecular Formula: C25H23F3N4O3
• Molecular Weight: 484.48 g/mol
• Exact Mass: 484.17
• IUPAC Name: 1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid
• SMILES: Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2C2(C(=O)O)CCCC2)c1
• InChI: InChI=1S/C25H23F3N4O3/c1-16-21(30-32(29-16)19-6-4-18(5-7-19)25(26,27)28)15-35-20-8-9-22-17(14-20)10-13-31(22)24(23(33)34)11-2-3-12-24/h4-10,13-14H,2-3,11-12,15H2,1H3,(H,33,34)
• InChIKey: CCGSKDUSJCBJNK-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 82.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.48
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid?

The IUPAC name of 1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid (CID 58591239) is 1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid.

What is the SMILES notation for 1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid?

The canonical SMILES for 1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid is Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2C2(C(=O)O)CCCC2)c1.

What is the InChIKey of 1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid?

The InChIKey is CCGSKDUSJCBJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-16-21(30-32(29-16)19-6-4-18(5-7-19)25(26,27)28)15-35-20-8-9-22-17(14-20)10-13-31(22)24(23(33)34)11-2-3-12-24/h4-10,13-14H,2-3,11-12,15H2,1H3,(H,33,34).

What are the key properties of 1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid?

1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid has a molecular weight of 484.48 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 58591239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).