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

C19H24F3N5O4 — CID 171558094

IUPAC(2R,3R,4S,5R,6R)-2-methyl-6-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC[C@H]1O[C@H](c2cn(C3CCNCC3)nn2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H24F3N5O4/c1-10-15(28)16(29)18(31-14-4-2-3-13(24-14)19(20,21)22)17(30-10)12-9-27(26-25-12)11-5-7-23-8-6-11/h2-4,9-11,15-18,23,28-29H,5-8H2,1H3/t10-,15+,16+,17-,18-/m1/s1
InChIKeyWPAOUXAJXGQQJN-SLEMLFNQSA-N
MW443.43 g/mol
LogP1.25
Rot. Bonds4

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

(2R,3R,4S,5R,6R)-2-methyl-6-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171558094) has the molecular formula C19H24F3N5O4 and a molecular weight of 443.43 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-methyl-6-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-methyl-6-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171558094
Molecular FormulaC19H24F3N5O4
Molecular Weight443.43 g/mol
Exact Mass443.18
IUPAC Name(2R,3R,4S,5R,6R)-2-methyl-6-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC[C@H]1O[C@H](c2cn(C3CCNCC3)nn2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H24F3N5O4/c1-10-15(28)16(29)18(31-14-4-2-3-13(24-14)19(20,21)22)17(30-10)12-9-27(26-25-12)11-5-7-23-8-6-11/h2-4,9-11,15-18,23,28-29H,5-8H2,1H3/t10-,15+,16+,17-,18-/m1/s1
InChIKeyWPAOUXAJXGQQJN-SLEMLFNQSA-N
XLogP1.25
TPSA114.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

2-Cyclohexyloxy-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
CID 166634381
1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
CID 54639258
1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
CID 54639260
1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
CID 54639261
1-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
CID 54639262
1-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
CID 54639263
1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
CID 54639264
1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
CID 54639265
US12319672, Example 1.24
CID 170692038
US12319672, Example 1.23
CID 170692039
1-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
CID 54639259
N-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide
CID 123253353

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-methyl-6-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-methyl-6-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171558094) is (2R,3R,4S,5R,6R)-2-methyl-6-(1-piperidin-4-yltriazol-4-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-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-methyl-6-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is C[C@H]1O[C@H](c2cn(C3CCNCC3)nn2)[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-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is WPAOUXAJXGQQJN-SLEMLFNQSA-N. The full InChI is InChI=1S/C19H24F3N5O4/c1-10-15(28)16(29)18(31-14-4-2-3-13(24-14)19(20,21)22)17(30-10)12-9-27(26-25-12)11-5-7-23-8-6-11/h2-4,9-11,15-18,23,28-29H,5-8H2,1H3/t10-,15+,16+,17-,18-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-methyl-6-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5R,6R)-2-methyl-6-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 443.43 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-methyl-6-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171558094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).