(2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol

C17H19F3N2O2 — CID 125142364

IUPAC(2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol
SMILESO[C@@H](COc1ccc(-c2ncc3n2CCCC3)cc1)CC(F)(F)F
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)9-14(23)11-24-15-6-4-12(5-7-15)16-21-10-13-3-1-2-8-22(13)16/h4-7,10,14,23H,1-3,8-9,11H2/t14-/m1/s1
InChIKeyQTQDSRJAGPILLT-CQSZACIVSA-N
MW340.35 g/mol
LogP3.58
Rot. Bonds5

About (2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol

(2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol (PubChem CID 125142364) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is (2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name(2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol
PubChem CID125142364
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name(2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol
SMILESO[C@@H](COc1ccc(-c2ncc3n2CCCC3)cc1)CC(F)(F)F
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)9-14(23)11-24-15-6-4-12(5-7-15)16-21-10-13-3-1-2-8-22(13)16/h4-7,10,14,23H,1-3,8-9,11H2/t14-/m1/s1
InChIKeyQTQDSRJAGPILLT-CQSZACIVSA-N
XLogP3.58
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 112832914
4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol
CID 119039533
(2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol
CID 100673610
4,4,4-trifluoro-1-(4-propylphenoxy)butan-2-ol
CID 167828364
(2S)-2-amino-4-methyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pentanamide
CID 119858502
3-(3-fluoro-4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 146634254
2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 75392897
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
2-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 166190257
3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833354
1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol
CID 10380266
2-benzylsulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 112833356

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol?
The IUPAC name of (2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol (CID 125142364) is (2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol.
What is the SMILES notation for (2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol?
The canonical SMILES for (2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol is O[C@@H](COc1ccc(-c2ncc3n2CCCC3)cc1)CC(F)(F)F.
What is the InChIKey of (2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol?
The InChIKey is QTQDSRJAGPILLT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c18-17(19,20)9-14(23)11-24-15-6-4-12(5-7-15)16-21-10-13-3-1-2-8-22(13)16/h4-7,10,14,23H,1-3,8-9,11H2/t14-/m1/s1.
What are the key properties of (2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol?
(2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol has a molecular weight of 340.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4,4-trifluoro-1-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenoxy]butan-2-ol is sourced from PubChem (CID 125142364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).