5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole

C24H20FN5 — CID 166399484

IUPAC5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole
SMILESFc1cccc(-n2nc(CCc3ccccc3)nc2Cc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C24H20FN5/c25-20-7-4-8-21(15-20)30-24(14-18-9-11-22-19(13-18)16-26-28-22)27-23(29-30)12-10-17-5-2-1-3-6-17/h1-9,11,13,15-16H,10,12,14H2,(H,26,28)
InChIKeyUNBGSUWWLLUIEK-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.66
Rot. Bonds6

About 5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole

5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole (PubChem CID 166399484) has the molecular formula C24H20FN5 and a molecular weight of 397.46 g/mol. Its IUPAC name is 5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole.

Molecular Properties

Compound Name5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole
PubChem CID166399484
Molecular FormulaC24H20FN5
Molecular Weight397.46 g/mol
Exact Mass397.17
IUPAC Name5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole
SMILESFc1cccc(-n2nc(CCc3ccccc3)nc2Cc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C24H20FN5/c25-20-7-4-8-21(15-20)30-24(14-18-9-11-22-19(13-18)16-26-28-22)27-23(29-30)12-10-17-5-2-1-3-6-17/h1-9,11,13,15-16H,10,12,14H2,(H,26,28)
InChIKeyUNBGSUWWLLUIEK-UHFFFAOYSA-N
XLogP4.66
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole?
The IUPAC name of 5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole (CID 166399484) is 5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole.
What is the SMILES notation for 5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole?
The canonical SMILES for 5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole is Fc1cccc(-n2nc(CCc3ccccc3)nc2Cc2ccc3[nH]ncc3c2)c1.
What is the InChIKey of 5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole?
The InChIKey is UNBGSUWWLLUIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5/c25-20-7-4-8-21(15-20)30-24(14-18-9-11-22-19(13-18)16-26-28-22)27-23(29-30)12-10-17-5-2-1-3-6-17/h1-9,11,13,15-16H,10,12,14H2,(H,26,28).
What are the key properties of 5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole?
5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole has a molecular weight of 397.46 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole is sourced from PubChem (CID 166399484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).