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

C17H14FN5 — CID 57392864

IUPAC1-[(2-fluorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridine
SMILESCc1nc(-c2nc(Cc3ccccc3F)c3ccccn23)n[nH]1
InChIInChI=1S/C17H14FN5/c1-11-19-16(22-21-11)17-20-14(15-8-4-5-9-23(15)17)10-12-6-2-3-7-13(12)18/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyJRSRLYYHYQEOGA-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.16
Rot. Bonds3

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

1-[(2-fluorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridine (PubChem CID 57392864) has the molecular formula C17H14FN5 and a molecular weight of 307.33 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridine
PubChem CID57392864
Molecular FormulaC17H14FN5
Molecular Weight307.33 g/mol
Exact Mass307.12
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridine
SMILESCc1nc(-c2nc(Cc3ccccc3F)c3ccccn23)n[nH]1
InChIInChI=1S/C17H14FN5/c1-11-19-16(22-21-11)17-20-14(15-8-4-5-9-23(15)17)10-12-6-2-3-7-13(12)18/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyJRSRLYYHYQEOGA-UHFFFAOYSA-N
XLogP3.16
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridine (CID 57392864) is 1-[(2-fluorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridine is Cc1nc(-c2nc(Cc3ccccc3F)c3ccccn23)n[nH]1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridine?
The InChIKey is JRSRLYYHYQEOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5/c1-11-19-16(22-21-11)17-20-14(15-8-4-5-9-23(15)17)10-12-6-2-3-7-13(12)18/h2-9H,10H2,1H3,(H,19,21,22).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridine?
1-[(2-fluorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridine has a molecular weight of 307.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 57392864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).