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

C17H11F4N5 — CID 57391080

IUPAC3-[(2-fluorophenyl)methyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine
SMILESFc1ccccc1Cc1nc(-c2n[nH]c(C(F)(F)F)n2)c2ccccn12
InChIInChI=1S/C17H11F4N5/c18-11-6-2-1-5-10(11)9-13-22-14(12-7-3-4-8-26(12)13)15-23-16(25-24-15)17(19,20)21/h1-8H,9H2,(H,23,24,25)
InChIKeyBHDXXPJSZHQTDV-UHFFFAOYSA-N
MW361.30 g/mol
LogP3.87
Rot. Bonds3

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

3-[(2-fluorophenyl)methyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine (PubChem CID 57391080) has the molecular formula C17H11F4N5 and a molecular weight of 361.30 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine
PubChem CID57391080
Molecular FormulaC17H11F4N5
Molecular Weight361.30 g/mol
Exact Mass361.10
IUPAC Name3-[(2-fluorophenyl)methyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine
SMILESFc1ccccc1Cc1nc(-c2n[nH]c(C(F)(F)F)n2)c2ccccn12
InChIInChI=1S/C17H11F4N5/c18-11-6-2-1-5-10(11)9-13-22-14(12-7-3-4-8-26(12)13)15-23-16(25-24-15)17(19,20)21/h1-8H,9H2,(H,23,24,25)
InChIKeyBHDXXPJSZHQTDV-UHFFFAOYSA-N
XLogP3.87
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine (CID 57391080) is 3-[(2-fluorophenyl)methyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine is Fc1ccccc1Cc1nc(-c2n[nH]c(C(F)(F)F)n2)c2ccccn12.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
The InChIKey is BHDXXPJSZHQTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N5/c18-11-6-2-1-5-10(11)9-13-22-14(12-7-3-4-8-26(12)13)15-23-16(25-24-15)17(19,20)21/h1-8H,9H2,(H,23,24,25).
What are the key properties of 3-[(2-fluorophenyl)methyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
3-[(2-fluorophenyl)methyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine has a molecular weight of 361.30 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 57391080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).