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

C17H18F3N3O5 — CID 171557382

IUPAC(2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC[C@H]1O[C@H](COc2cnccn2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H18F3N3O5/c1-9-14(24)15(25)16(10(27-9)8-26-13-7-21-5-6-22-13)28-12-4-2-3-11(23-12)17(18,19)20/h2-7,9-10,14-16,24-25H,8H2,1H3/t9-,10-,14+,15+,16+/m1/s1
InChIKeySRKFHOFZLMHHFW-UAXMHLISSA-N
MW401.34 g/mol
LogP1.23
Rot. Bonds5

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

(2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171557382) has the molecular formula C17H18F3N3O5 and a molecular weight of 401.34 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171557382
Molecular FormulaC17H18F3N3O5
Molecular Weight401.34 g/mol
Exact Mass401.12
IUPAC Name(2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC[C@H]1O[C@H](COc2cnccn2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H18F3N3O5/c1-9-14(24)15(25)16(10(27-9)8-26-13-7-21-5-6-22-13)28-12-4-2-3-11(23-12)17(18,19)20/h2-7,9-10,14-16,24-25H,8H2,1H3/t9-,10-,14+,15+,16+/m1/s1
InChIKeySRKFHOFZLMHHFW-UAXMHLISSA-N
XLogP1.23
TPSA106.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

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(3-Ethoxy-6-methyl-2-pyridinyl)-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanol
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2-[5-[[3-[(3E,5Z)-3-ethyl-7-fluorohepta-1,3,5-trien-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-2,2-difluoroethanol
CID 135246654
2-(2,2-Difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine
CID 142379196
6-[1-[4-[6-(Trifluoromethyl)pyridin-3-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287100
6-[1-[4-[5-(Trifluoromethoxy)pyridin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287174
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
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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
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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171557382) is (2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is C[C@H]1O[C@H](COc2cnccn2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is SRKFHOFZLMHHFW-UAXMHLISSA-N. The full InChI is InChI=1S/C17H18F3N3O5/c1-9-14(24)15(25)16(10(27-9)8-26-13-7-21-5-6-22-13)28-12-4-2-3-11(23-12)17(18,19)20/h2-7,9-10,14-16,24-25H,8H2,1H3/t9-,10-,14+,15+,16+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 401.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171557382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).