(2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol

C24H23F3N2O4 — CID 171557699

IUPAC(2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Nc2cccc(C(F)(F)F)n2)CO[C@@H]1COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23F3N2O4/c25-24(26,27)20-7-4-8-21(29-20)28-18-13-33-19(23(31)22(18)30)14-32-17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-12,18-19,22-23,30-31H,13-14H2,(H,28,29)/t18-,19+,22+,23-/m0/s1
InChIKeyHDLFZTOSUVPXFR-CSGUBPAMSA-N
MW460.45 g/mol
LogP3.75
Rot. Bonds6

About (2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol

(2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (PubChem CID 171557699) has the molecular formula C24H23F3N2O4 and a molecular weight of 460.45 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
PubChem CID171557699
Molecular FormulaC24H23F3N2O4
Molecular Weight460.45 g/mol
Exact Mass460.16
IUPAC Name(2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Nc2cccc(C(F)(F)F)n2)CO[C@@H]1COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23F3N2O4/c25-24(26,27)20-7-4-8-21(29-20)28-18-13-33-19(23(31)22(18)30)14-32-17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-12,18-19,22-23,30-31H,13-14H2,(H,28,29)/t18-,19+,22+,23-/m0/s1
InChIKeyHDLFZTOSUVPXFR-CSGUBPAMSA-N
XLogP3.75
TPSA83.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

(1R)-1-Phenyl-2-[(6-{4-[(trifluoromethyl)oxy]phenyl}pyrimidin-4-yl)amino]ethanol
CID 44204534
(1R)-2-[[6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44204535
(1R)-2-[[6-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44204720
(2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxy-2-[(2-hydroxyacetyl)amino]propanamide
CID 57405559
N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
CID 57405732
(1R)-2-[[6-(4-ethoxy-3-fluorophenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918516
1-Phenyl-2-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]amino]ethanol
CID 57918604
(1R)-1-phenyl-2-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-yl]amino]ethanol
CID 57918611
(1S)-1-phenyl-2-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]amino]ethanol
CID 44204532
US9656959, Example 61
CID 57405560
US9656959, Example 74
CID 57405899
US9656959, Example 75
CID 57405900

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol (CID 171557699) is (2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is O[C@@H]1[C@H](O)[C@@H](Nc2cccc(C(F)(F)F)n2)CO[C@@H]1COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
The InChIKey is HDLFZTOSUVPXFR-CSGUBPAMSA-N. The full InChI is InChI=1S/C24H23F3N2O4/c25-24(26,27)20-7-4-8-21(29-20)28-18-13-33-19(23(31)22(18)30)14-32-17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-12,18-19,22-23,30-31H,13-14H2,(H,28,29)/t18-,19+,22+,23-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol has a molecular weight of 460.45 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-[(4-phenylphenoxy)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol is sourced from PubChem (CID 171557699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).