(2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

C15H16F3N3O4 — CID 171557361

IUPAC(2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC[C@H]1O[C@H](c2ccn[nH]2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H16F3N3O4/c1-7-11(22)12(23)14(13(24-7)8-5-6-19-21-8)25-10-4-2-3-9(20-10)15(16,17)18/h2-7,11-14,22-23H,1H3,(H,19,21)/t7-,11+,12+,13-,14-/m1/s1
InChIKeyYJVNLXNHKHYFOJ-CKXAMLNGSA-N
MW359.30 g/mol
LogP1.45
Rot. Bonds3

About (2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

(2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171557361) has the molecular formula C15H16F3N3O4 and a molecular weight of 359.30 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171557361
Molecular FormulaC15H16F3N3O4
Molecular Weight359.30 g/mol
Exact Mass359.11
IUPAC Name(2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC[C@H]1O[C@H](c2ccn[nH]2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H16F3N3O4/c1-7-11(22)12(23)14(13(24-7)8-5-6-19-21-8)25-10-4-2-3-9(20-10)15(16,17)18/h2-7,11-14,22-23H,1H3,(H,19,21)/t7-,11+,12+,13-,14-/m1/s1
InChIKeyYJVNLXNHKHYFOJ-CKXAMLNGSA-N
XLogP1.45
TPSA100.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

US11365192, Example 9-3
CID 156323950
US11365192, Example 71-4
CID 156324040
(2R,3R,4S,5S)-2-[5-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyridin-3-yl]oxythiane-3,4,5-triol
CID 66650841
(2S,3R,4S,5S)-2-[[5-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-pyridinyl]oxy]thiane-3,4,5-triol
CID 66650842
[1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)-[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyrazol-5-yl]methanol
CID 69644687
3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 118881712
[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 4-[6-(2-methylpyrazol-3-yl)pyridin-2-yl]oxypiperidine-1-carboxylate
CID 126502830
(2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol
CID 137487633
(3E,5E)-1,1-difluoro-6-methyl-3-propan-2-yl-8-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]octa-3,5-dien-2-ol
CID 137487654
2-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyridine
CID 141330180
2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine
CID 141330198
2-(1H-pyrazol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine
CID 141330209

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171557361) is (2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is C[C@H]1O[C@H](c2ccn[nH]2)[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-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is YJVNLXNHKHYFOJ-CKXAMLNGSA-N. The full InChI is InChI=1S/C15H16F3N3O4/c1-7-11(22)12(23)14(13(24-7)8-5-6-19-21-8)25-10-4-2-3-9(20-10)15(16,17)18/h2-7,11-14,22-23H,1H3,(H,19,21)/t7-,11+,12+,13-,14-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 359.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171557361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).