(2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

C16H16F3N3O5 — CID 171558337

IUPAC(2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)n2)CO[C@@H]1COc1cnccn1
InChIInChI=1S/C16H16F3N3O5/c17-16(18,19)11-2-1-3-12(22-11)27-10-8-25-9(14(23)15(10)24)7-26-13-6-20-4-5-21-13/h1-6,9-10,14-15,23-24H,7-8H2/t9-,10+,14+,15-/m1/s1
InChIKeyVYXZDPGIZDPQDK-KTJYFRGRSA-N
MW387.31 g/mol
LogP0.84
Rot. Bonds5

About (2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

(2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171558337) has the molecular formula C16H16F3N3O5 and a molecular weight of 387.31 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171558337
Molecular FormulaC16H16F3N3O5
Molecular Weight387.31 g/mol
Exact Mass387.10
IUPAC Name(2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)n2)CO[C@@H]1COc1cnccn1
InChIInChI=1S/C16H16F3N3O5/c17-16(18,19)11-2-1-3-12(22-11)27-10-8-25-9(14(23)15(10)24)7-26-13-6-20-4-5-21-13/h1-6,9-10,14-15,23-24H,7-8H2/t9-,10+,14+,15-/m1/s1
InChIKeyVYXZDPGIZDPQDK-KTJYFRGRSA-N
XLogP0.84
TPSA106.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-pyridin-3-yloxyhexyl)piperidine-3,4,5-triol
CID 60170344
(3-Ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol
CID 123432378
2-(2,2-Difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine
CID 142379196
6-[1-[4-[5-(Trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287203
2-[1-[1-(5,6-Dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine
CID 153376674
2-(2,2-Difluoropropoxy)-5-(3-ethoxysulfanyloxy-5-pyridin-2-yloxy-2-pyridinyl)pyrazine
CID 157410289
CID 162570339
CID 162570339
(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-1-[5-fluoro-6-(3-hydroxyhex-5-enyl)-3-pyridinyl]-2-methylpyrrolidin-2-ol
CID 167004121
Ethane;2-(methoxymethyl)pyridin-3-ol;2-(methoxymethyl)-3-(2,2,2-trifluoroethoxy)pyridine;[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
CID 171552890
(2R,3R,4S,5S)-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556688
[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl (2Z)-N-methylpenta-2,4-dienimidate
CID 171556723
(2R,3R,4S,5S)-2-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556744

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171558337) is (2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is O[C@@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)n2)CO[C@@H]1COc1cnccn1.
What is the InChIKey of (2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is VYXZDPGIZDPQDK-KTJYFRGRSA-N. The full InChI is InChI=1S/C16H16F3N3O5/c17-16(18,19)11-2-1-3-12(22-11)27-10-8-25-9(14(23)15(10)24)7-26-13-6-20-4-5-21-13/h1-6,9-10,14-15,23-24H,7-8H2/t9-,10+,14+,15-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 387.31 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171558337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).