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

C23H18FN5 — CID 57401561

IUPAC3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine
SMILESFc1ccccc1Cc1nc(-c2n[nH]c(Cc3ccccc3)n2)n2ccccc12
InChIInChI=1S/C23H18FN5/c24-18-11-5-4-10-17(18)15-19-20-12-6-7-13-29(20)23(25-19)22-26-21(27-28-22)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,26,27,28)
InChIKeyUIGQLNKLFIEBGV-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.44
Rot. Bonds5

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

3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine (PubChem CID 57401561) has the molecular formula C23H18FN5 and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine
PubChem CID57401561
Molecular FormulaC23H18FN5
Molecular Weight383.43 g/mol
Exact Mass383.15
IUPAC Name3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine
SMILESFc1ccccc1Cc1nc(-c2n[nH]c(Cc3ccccc3)n2)n2ccccc12
InChIInChI=1S/C23H18FN5/c24-18-11-5-4-10-17(18)15-19-20-12-6-7-13-29(20)23(25-19)22-26-21(27-28-22)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,26,27,28)
InChIKeyUIGQLNKLFIEBGV-UHFFFAOYSA-N
XLogP4.44
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine (CID 57401561) is 3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine is Fc1ccccc1Cc1nc(-c2n[nH]c(Cc3ccccc3)n2)n2ccccc12.
What is the InChIKey of 3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine?
The InChIKey is UIGQLNKLFIEBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5/c24-18-11-5-4-10-17(18)15-19-20-12-6-7-13-29(20)23(25-19)22-26-21(27-28-22)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,26,27,28).
What are the key properties of 3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine?
3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine has a molecular weight of 383.43 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 57401561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).