3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine

C18H13FN8 — CID 72925081

IUPAC3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc(-c2[nH]ncc2-c2cn(Cc3nnc4ccccn34)nn2)cc1
InChIInChI=1S/C18H13FN8/c19-13-6-4-12(5-7-13)18-14(9-20-24-18)15-10-26(25-21-15)11-17-23-22-16-3-1-2-8-27(16)17/h1-10H,11H2,(H,20,24)
InChIKeyJKOSXHVUFNAMMZ-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.57
Rot. Bonds4

About 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine

3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 72925081) has the molecular formula C18H13FN8 and a molecular weight of 360.36 g/mol. Its IUPAC name is 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID72925081
Molecular FormulaC18H13FN8
Molecular Weight360.36 g/mol
Exact Mass360.12
IUPAC Name3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc(-c2[nH]ncc2-c2cn(Cc3nnc4ccccn34)nn2)cc1
InChIInChI=1S/C18H13FN8/c19-13-6-4-12(5-7-13)18-14(9-20-24-18)15-10-26(25-21-15)11-17-23-22-16-3-1-2-8-27(16)17/h1-10H,11H2,(H,20,24)
InChIKeyJKOSXHVUFNAMMZ-UHFFFAOYSA-N
XLogP2.57
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 72925081) is 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine is Fc1ccc(-c2[nH]ncc2-c2cn(Cc3nnc4ccccn34)nn2)cc1.
What is the InChIKey of 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JKOSXHVUFNAMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN8/c19-13-6-4-12(5-7-13)18-14(9-20-24-18)15-10-26(25-21-15)11-17-23-22-16-3-1-2-8-27(16)17/h1-10H,11H2,(H,20,24).
What are the key properties of 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 360.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 72925081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).