(2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol

C24H24F3N3O4 — CID 171558772

IUPAC(2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
SMILESCc1ccc(-c2ccc(OC[C@H]3OC[C@H](Nc4cncc(C(F)(F)F)n4)[C@@H](O)[C@H]3O)cc2)cc1
InChIInChI=1S/C24H24F3N3O4/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)33-13-19-23(32)22(31)18(12-34-19)29-21-11-28-10-20(30-21)24(25,26)27/h2-11,18-19,22-23,31-32H,12-13H2,1H3,(H,29,30)/t18-,19+,22+,23-/m0/s1
InChIKeyMAKVQWKUIVDXAJ-CSGUBPAMSA-N
MW475.47 g/mol
LogP3.45
Rot. Bonds6

About (2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol

(2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol (PubChem CID 171558772) has the molecular formula C24H24F3N3O4 and a molecular weight of 475.47 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
PubChem CID171558772
Molecular FormulaC24H24F3N3O4
Molecular Weight475.47 g/mol
Exact Mass475.17
IUPAC Name(2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
SMILESCc1ccc(-c2ccc(OC[C@H]3OC[C@H](Nc4cncc(C(F)(F)F)n4)[C@@H](O)[C@H]3O)cc2)cc1
InChIInChI=1S/C24H24F3N3O4/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)33-13-19-23(32)22(31)18(12-34-19)29-21-11-28-10-20(30-21)24(25,26)27/h2-11,18-19,22-23,31-32H,12-13H2,1H3,(H,29,30)/t18-,19+,22+,23-/m0/s1
InChIKeyMAKVQWKUIVDXAJ-CSGUBPAMSA-N
XLogP3.45
TPSA96.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]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

1-[[3-[3-(Hydroxymethyl)phenyl]pyrazin-2-yl]amino]-3-phenoxypropan-2-ol
CID 172434662
1-Phenoxy-3-[[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]amino]propan-2-ol
CID 172436526
1-[4-[3-(5-Aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 142794903
1-[4-[3-(5-Aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(dimethylamino)propan-2-ol
CID 142794917
1-[4-[3-(5-Aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-piperazin-1-ylpropan-2-ol
CID 142794925
1-[4-[3-(5-Aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol
CID 142794941
1-[4-[3-(5-Aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(2-methylpropylamino)propan-2-ol
CID 142794956
1-[4-[3-(5-Aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(methylamino)propan-2-ol
CID 142794996
2-[4-[[4-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]methyl]phenoxy]acetic acid
CID 167221486
2-[4-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxymethyl]phenoxy]acetic acid
CID 167221970
2-[4-[[4-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]methyl]phenoxy]-N-methylacetamide
CID 167222097
2-[4-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methylamino]-2-oxoethyl]phenoxy]acetic acid
CID 170982711

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol (CID 171558772) is (2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol is Cc1ccc(-c2ccc(OC[C@H]3OC[C@H](Nc4cncc(C(F)(F)F)n4)[C@@H](O)[C@H]3O)cc2)cc1.
What is the InChIKey of (2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?
The InChIKey is MAKVQWKUIVDXAJ-CSGUBPAMSA-N. The full InChI is InChI=1S/C24H24F3N3O4/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)33-13-19-23(32)22(31)18(12-34-19)29-21-11-28-10-20(30-21)24(25,26)27/h2-11,18-19,22-23,31-32H,12-13H2,1H3,(H,29,30)/t18-,19+,22+,23-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol has a molecular weight of 475.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-[[4-(4-methylphenyl)phenoxy]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol is sourced from PubChem (CID 171558772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).