3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol

C15H15F3N2O — CID 117150243

IUPAC3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
SMILESOC1CCCc2cnc(Cc3cccc(C(F)(F)F)c3)n21
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)11-4-1-3-10(7-11)8-13-19-9-12-5-2-6-14(21)20(12)13/h1,3-4,7,9,14,21H,2,5-6,8H2
InChIKeyUWWXJODGTYWMIO-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.32
Rot. Bonds2

About 3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol

3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol (PubChem CID 117150243) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
PubChem CID117150243
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
SMILESOC1CCCc2cnc(Cc3cccc(C(F)(F)F)c3)n21
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)11-4-1-3-10(7-11)8-13-19-9-12-5-2-6-14(21)20(12)13/h1,3-4,7,9,14,21H,2,5-6,8H2
InChIKeyUWWXJODGTYWMIO-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol (CID 117150243) is 3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol is OC1CCCc2cnc(Cc3cccc(C(F)(F)F)c3)n21.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol?
The InChIKey is UWWXJODGTYWMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)11-4-1-3-10(7-11)8-13-19-9-12-5-2-6-14(21)20(12)13/h1,3-4,7,9,14,21H,2,5-6,8H2.
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol?
3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol has a molecular weight of 296.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol is sourced from PubChem (CID 117150243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).