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

C18H22F3N5O4 — CID 171556744

IUPAC(2R,3R,4S,5S)-2-(1-piperidin-4-yltriazol-4-yl)-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]1c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H22F3N5O4/c19-18(20,21)13-2-1-3-14(23-13)30-12-9-29-17(16(28)15(12)27)11-8-26(25-24-11)10-4-6-22-7-5-10/h1-3,8,10,12,15-17,22,27-28H,4-7,9H2/t12-,15+,16+,17+/m0/s1
InChIKeyIBDXYHFTBOCTGF-WBQNTZJQSA-N
MW429.40 g/mol
LogP0.86
Rot. Bonds4

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

(2R,3R,4S,5S)-2-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171556744) has the molecular formula C18H22F3N5O4 and a molecular weight of 429.40 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171556744
Molecular FormulaC18H22F3N5O4
Molecular Weight429.40 g/mol
Exact Mass429.16
IUPAC Name(2R,3R,4S,5S)-2-(1-piperidin-4-yltriazol-4-yl)-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]1c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H22F3N5O4/c19-18(20,21)13-2-1-3-14(23-13)30-12-9-29-17(16(28)15(12)27)11-8-26(25-24-11)10-4-6-22-7-5-10/h1-3,8,10,12,15-17,22,27-28H,4-7,9H2/t12-,15+,16+,17+/m0/s1
InChIKeyIBDXYHFTBOCTGF-WBQNTZJQSA-N
XLogP0.86
TPSA114.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide
CID 123253353
6-[(2S)-morpholin-2-yl]-N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrazol-3-yl]methyl]pyridin-3-amine
CID 151837373
(2R,3R,4R,5S)-2-[1-(3-methoxyphenyl)triazol-4-yl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 167221828
(2R,3R,4S,5S)-2-[1-(1-methylpiperidin-4-yl)triazol-4-yl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556836
tert-butyl 4-[4-[(3aS,4R,6R,7S,7aR)-2,2,4-trimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]triazol-1-yl]piperidine-1-carboxylate
CID 171557072
tert-butyl 4-[4-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate
CID 171557096
(2R,3R,4S,5R,6R)-2-methyl-6-(1H-pyrazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557361
(2R,3R,4S,5S)-2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557370
(2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557382
(3S,4S,5S)-1-pyridazin-4-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
CID 171557893
tert-butyl 4-[4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]triazol-1-yl]piperidine-1-carboxylate
CID 171558016
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171556744) is (2R,3R,4S,5S)-2-(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,5S)-2-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-(1-piperidin-4-yltriazol-4-yl)-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]1c1cn(C2CCNCC2)nn1.
What is the InChIKey of (2R,3R,4S,5S)-2-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is IBDXYHFTBOCTGF-WBQNTZJQSA-N. The full InChI is InChI=1S/C18H22F3N5O4/c19-18(20,21)13-2-1-3-14(23-13)30-12-9-29-17(16(28)15(12)27)11-8-26(25-24-11)10-4-6-22-7-5-10/h1-3,8,10,12,15-17,22,27-28H,4-7,9H2/t12-,15+,16+,17+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-2-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5S)-2-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 429.40 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-(1-piperidin-4-yltriazol-4-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171556744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).