5-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole

C22H16FN5 — CID 22480180

IUPAC5-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole
SMILESFc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(Cc5ccccc5)n4)cc23)cc1
InChIInChI=1S/C22H16FN5/c23-17-9-6-15(7-10-17)21-18-13-16(8-11-19(18)25-27-21)22-24-20(26-28-22)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,25,27)(H,24,26,28)
InChIKeyMAHBYMMDAIGJIJ-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.74
Rot. Bonds4

About 5-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole

5-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole (PubChem CID 22480180) has the molecular formula C22H16FN5 and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole.

Molecular Properties

Compound Name5-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole
PubChem CID22480180
Molecular FormulaC22H16FN5
Molecular Weight369.40 g/mol
Exact Mass369.14
IUPAC Name5-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole
SMILESFc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(Cc5ccccc5)n4)cc23)cc1
InChIInChI=1S/C22H16FN5/c23-17-9-6-15(7-10-17)21-18-13-16(8-11-19(18)25-27-21)22-24-20(26-28-22)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,25,27)(H,24,26,28)
InChIKeyMAHBYMMDAIGJIJ-UHFFFAOYSA-N
XLogP4.74
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole?
The IUPAC name of 5-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole (CID 22480180) is 5-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole.
What is the SMILES notation for 5-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole?
The canonical SMILES for 5-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole is Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(Cc5ccccc5)n4)cc23)cc1.
What is the InChIKey of 5-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole?
The InChIKey is MAHBYMMDAIGJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5/c23-17-9-6-15(7-10-17)21-18-13-16(8-11-19(18)25-27-21)22-24-20(26-28-22)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,25,27)(H,24,26,28).
What are the key properties of 5-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole?
5-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole has a molecular weight of 369.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-benzyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole is sourced from PubChem (CID 22480180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).