6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole

C25H22F4N6 — CID 142471936

IUPAC6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
SMILESFc1ccc2c(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3cnc[nH]3)c[nH]c2c1
InChIInChI=1S/C25H22F4N6/c26-19-6-7-21-17(13-31-22(21)12-19)11-24-34-33-23(35(24)8-2-5-20-14-30-15-32-20)10-16-3-1-4-18(9-16)25(27,28)29/h1,3-4,6-7,9,12-15,31H,2,5,8,10-11H2,(H,30,32)
InChIKeyHRMZYZYVRKSGFD-UHFFFAOYSA-N
MW482.49 g/mol
LogP5.45
Rot. Bonds8

About 6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole

6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole (PubChem CID 142471936) has the molecular formula C25H22F4N6 and a molecular weight of 482.49 g/mol. Its IUPAC name is 6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
PubChem CID142471936
Molecular FormulaC25H22F4N6
Molecular Weight482.49 g/mol
Exact Mass482.18
IUPAC Name6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
SMILESFc1ccc2c(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3cnc[nH]3)c[nH]c2c1
InChIInChI=1S/C25H22F4N6/c26-19-6-7-21-17(13-31-22(21)12-19)11-24-34-33-23(35(24)8-2-5-20-14-30-15-32-20)10-16-3-1-4-18(9-16)25(27,28)29/h1,3-4,6-7,9,12-15,31H,2,5,8,10-11H2,(H,30,32)
InChIKeyHRMZYZYVRKSGFD-UHFFFAOYSA-N
XLogP5.45
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.49
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole?
The IUPAC name of 6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole (CID 142471936) is 6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole is Fc1ccc2c(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3cnc[nH]3)c[nH]c2c1.
What is the InChIKey of 6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole?
The InChIKey is HRMZYZYVRKSGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N6/c26-19-6-7-21-17(13-31-22(21)12-19)11-24-34-33-23(35(24)8-2-5-20-14-30-15-32-20)10-16-3-1-4-18(9-16)25(27,28)29/h1,3-4,6-7,9,12-15,31H,2,5,8,10-11H2,(H,30,32).
What are the key properties of 6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole?
6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole has a molecular weight of 482.49 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole is sourced from PubChem (CID 142471936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).