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

C15H10F3N7 — CID 56598462

IUPAC1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine
SMILESFC(F)(F)c1nc(-c2nc(Cc3cncnc3)c3ccccn23)n[nH]1
InChIInChI=1S/C15H10F3N7/c16-15(17,18)14-22-12(23-24-14)13-21-10(5-9-6-19-8-20-7-9)11-3-1-2-4-25(11)13/h1-4,6-8H,5H2,(H,22,23,24)
InChIKeyWVHZOVWSYVTAJO-UHFFFAOYSA-N
MW345.29 g/mol
LogP2.52
Rot. Bonds3

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

1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine (PubChem CID 56598462) has the molecular formula C15H10F3N7 and a molecular weight of 345.29 g/mol. Its IUPAC name is 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine
PubChem CID56598462
Molecular FormulaC15H10F3N7
Molecular Weight345.29 g/mol
Exact Mass345.09
IUPAC Name1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine
SMILESFC(F)(F)c1nc(-c2nc(Cc3cncnc3)c3ccccn23)n[nH]1
InChIInChI=1S/C15H10F3N7/c16-15(17,18)14-22-12(23-24-14)13-21-10(5-9-6-19-8-20-7-9)11-3-1-2-4-25(11)13/h1-4,6-8H,5H2,(H,22,23,24)
InChIKeyWVHZOVWSYVTAJO-UHFFFAOYSA-N
XLogP2.52
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
The IUPAC name of 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine (CID 56598462) is 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
The canonical SMILES for 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine is FC(F)(F)c1nc(-c2nc(Cc3cncnc3)c3ccccn23)n[nH]1.
What is the InChIKey of 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
The InChIKey is WVHZOVWSYVTAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N7/c16-15(17,18)14-22-12(23-24-14)13-21-10(5-9-6-19-8-20-7-9)11-3-1-2-4-25(11)13/h1-4,6-8H,5H2,(H,22,23,24).
What are the key properties of 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine has a molecular weight of 345.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 56598462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).