(2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol

C18H17F6N3O6 — CID 171558379

IUPAC(2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Nc2cccc(OC(F)(F)F)n2)CO[C@@H]1COc1cccc(OC(F)(F)F)n1
InChIInChI=1S/C18H17F6N3O6/c19-17(20,21)32-13-5-1-3-11(26-13)25-9-7-30-10(16(29)15(9)28)8-31-12-4-2-6-14(27-12)33-18(22,23)24/h1-6,9-10,15-16,28-29H,7-8H2,(H,25,26)/t9-,10+,15+,16-/m0/s1
InChIKeyMXCFQKPABVALIK-HRZBSETHSA-N
MW485.34 g/mol
LogP2.25
Rot. Bonds7

About (2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol

(2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol (PubChem CID 171558379) has the molecular formula C18H17F6N3O6 and a molecular weight of 485.34 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol
PubChem CID171558379
Molecular FormulaC18H17F6N3O6
Molecular Weight485.34 g/mol
Exact Mass485.10
IUPAC Name(2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Nc2cccc(OC(F)(F)F)n2)CO[C@@H]1COc1cccc(OC(F)(F)F)n1
InChIInChI=1S/C18H17F6N3O6/c19-17(20,21)32-13-5-1-3-11(26-13)25-9-7-30-10(16(29)15(9)28)8-31-12-4-2-6-14(27-12)33-18(22,23)24/h1-6,9-10,15-16,28-29H,7-8H2,(H,25,26)/t9-,10+,15+,16-/m0/s1
InChIKeyMXCFQKPABVALIK-HRZBSETHSA-N
XLogP2.25
TPSA115.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.34
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4S,5S)-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556688
(2,3,5,6-tetrafluorophenyl) 2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxan-2-yl]methylamino]-2-oxoethoxy]ethoxy]acetate
CID 171556933
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-methoxy-6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171557338
(2R,3R,4R,5S)-5-[[6-(difluoromethoxy)-2-pyridinyl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 171557487
(2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171557699
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]oxane-3,4-diol
CID 171557751
(2R,3S,4S,5S)-1-[[(2R,3S,4R,5S)-2-ethyl-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-4-yl]oxymethyl]-2-propyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
CID 171557789
(2R,3R,4R,5S)-2-(phenoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171557820
(2R,3R,4R,5S)-2-(pyridazin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171558096
(2R,3R,4R,5S)-2-[(4-bromophenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171558228
(3S,4S,5S)-1-[5-(trifluoromethyl)-2-pyridinyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
CID 171558475
(2R,3R,4S,5S)-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171558558

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol (CID 171558379) is (2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol is O[C@@H]1[C@H](O)[C@@H](Nc2cccc(OC(F)(F)F)n2)CO[C@@H]1COc1cccc(OC(F)(F)F)n1.
What is the InChIKey of (2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol?
The InChIKey is MXCFQKPABVALIK-HRZBSETHSA-N. The full InChI is InChI=1S/C18H17F6N3O6/c19-17(20,21)32-13-5-1-3-11(26-13)25-9-7-30-10(16(29)15(9)28)8-31-12-4-2-6-14(27-12)33-18(22,23)24/h1-6,9-10,15-16,28-29H,7-8H2,(H,25,26)/t9-,10+,15+,16-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol?
(2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol has a molecular weight of 485.34 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-[[6-(trifluoromethoxy)-2-pyridinyl]amino]-2-[[6-(trifluoromethoxy)-2-pyridinyl]oxymethyl]oxane-3,4-diol is sourced from PubChem (CID 171558379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).