[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol

C16H13F3N2O2 — CID 162620480

IUPAC[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol
SMILESOC(O)c1ncn2cccc(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-21-9-20-13(14(11)21)15(22)23/h1-7,9,15,22-23H,8H2
InChIKeyVRZHSSOYGQWPMP-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.93
Rot. Bonds3

About [8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol

[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol (PubChem CID 162620480) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is [8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol.

Molecular Properties

Compound Name[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol
PubChem CID162620480
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol
SMILESOC(O)c1ncn2cccc(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-21-9-20-13(14(11)21)15(22)23/h1-7,9,15,22-23H,8H2
InChIKeyVRZHSSOYGQWPMP-UHFFFAOYSA-N
XLogP2.93
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Imidazo[1,5-a]pyridine derivative 1
CID 122604981
5-(p-Hydroxymethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 13688218
1,1,1,3,3,3-hexafluoro-2-(4-(5-(hydroxymethyl)-2-(pyridin-4-yl)-1H-imidazol-1-yl)phenyl)propan-2-ol
CID 44407263
US10233190, Example 1502
CID 66558888
[4-[[2-(2-Fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol
CID 44427151
[4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155541112
(2-Methyl-3-imidazo[1,2-a]pyridinyl)-diphenylmethanol
CID 44634510
[4-[3-[4-(Dimethylamino)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol
CID 117769248
[4-[3-[3-(Dimethylamino)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol
CID 117769673
(S)-1-(6-(1-(4-(trifluoromethyl)benzyl)-1H-pyrrolo[2,3-blpyridin-5-yl)pyridin-2-yl)ethane-1,2-diol
CID 118413915
3-[3-Ethyl-2-[(3-fluoro-2-pyridinyl)-hydroxy-phenylmethyl]benzimidazol-5-yl]propan-1-ol
CID 118515943
3-[3-Ethyl-2-[hydroxy-(3-methyl-2-pyridinyl)-phenylmethyl]benzimidazol-5-yl]propan-1-ol
CID 118515997

Frequently Asked Questions

What is the IUPAC name of [8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol?
The IUPAC name of [8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol (CID 162620480) is [8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol.
What is the SMILES notation for [8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol?
The canonical SMILES for [8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol is OC(O)c1ncn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of [8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol?
The InChIKey is VRZHSSOYGQWPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-21-9-20-13(14(11)21)15(22)23/h1-7,9,15,22-23H,8H2.
What are the key properties of [8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol?
[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol has a molecular weight of 322.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol is sourced from PubChem (CID 162620480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).