2-[[5-[5-[1-[(4-fluorophenyl)methyl]indol-5-yl]furan-2-yl]-2,3-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methoxyethanol

C24H23FN4O3S — CID 144951272

About 2-[[5-[5-[1-[(4-fluorophenyl)methyl]indol-5-yl]furan-2-yl]-2,3-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methoxyethanol

2-[[5-[5-[1-[(4-fluorophenyl)methyl]indol-5-yl]furan-2-yl]-2,3-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methoxyethanol (PubChem CID 144951272) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-[[5-[5-[1-[(4-fluorophenyl)methyl]indol-5-yl]furan-2-yl]-2,3-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methoxyethanol.

Molecular Properties

• Compound Name: 2-[[5-[5-[1-[(4-fluorophenyl)methyl]indol-5-yl]furan-2-yl]-2,3-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methoxyethanol
• PubChem CID: 144951272
• Molecular Formula: C24H23FN4O3S
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.15
• IUPAC Name: 2-[[5-[5-[1-[(4-fluorophenyl)methyl]indol-5-yl]furan-2-yl]-2,3-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methoxyethanol
• SMILES: COC(O)CSC1N=C(c2ccc(-c3ccc4c(ccn4Cc4ccc(F)cc4)c3)o2)NN1
• InChI: InChI=1S/C24H23FN4O3S/c1-31-22(30)14-33-24-26-23(27-28-24)21-9-8-20(32-21)17-4-7-19-16(12-17)10-11-29(19)13-15-2-5-18(25)6-3-15/h2-12,22,24,28,30H,13-14H2,1H3,(H,26,27)
• InChIKey: ADJWAIAXMHTSQH-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 83.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[5-[1-[(4-fluorophenyl)methyl]indol-5-yl]furan-2-yl]-2,3-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methoxyethanol?

The IUPAC name of 2-[[5-[5-[1-[(4-fluorophenyl)methyl]indol-5-yl]furan-2-yl]-2,3-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methoxyethanol (CID 144951272) is 2-[[5-[5-[1-[(4-fluorophenyl)methyl]indol-5-yl]furan-2-yl]-2,3-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methoxyethanol.

What is the SMILES notation for 2-[[5-[5-[1-[(4-fluorophenyl)methyl]indol-5-yl]furan-2-yl]-2,3-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methoxyethanol?

The canonical SMILES for 2-[[5-[5-[1-[(4-fluorophenyl)methyl]indol-5-yl]furan-2-yl]-2,3-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methoxyethanol is COC(O)CSC1N=C(c2ccc(-c3ccc4c(ccn4Cc4ccc(F)cc4)c3)o2)NN1.

What is the InChIKey of 2-[[5-[5-[1-[(4-fluorophenyl)methyl]indol-5-yl]furan-2-yl]-2,3-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methoxyethanol?

The InChIKey is ADJWAIAXMHTSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-31-22(30)14-33-24-26-23(27-28-24)21-9-8-20(32-21)17-4-7-19-16(12-17)10-11-29(19)13-15-2-5-18(25)6-3-15/h2-12,22,24,28,30H,13-14H2,1H3,(H,26,27).

What are the key properties of 2-[[5-[5-[1-[(4-fluorophenyl)methyl]indol-5-yl]furan-2-yl]-2,3-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methoxyethanol?

2-[[5-[5-[1-[(4-fluorophenyl)methyl]indol-5-yl]furan-2-yl]-2,3-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methoxyethanol has a molecular weight of 466.54 g/mol, XLogP of 3.92, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[5-[1-[(4-fluorophenyl)methyl]indol-5-yl]furan-2-yl]-2,3-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methoxyethanol is sourced from PubChem (CID 144951272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).