5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid

C16H16F3N5O5 — CID 177015289

IUPAC5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OC[C@H]2OC[C@H](Nc3cncc(C(F)(F)F)n3)C[C@H]2O)cn1
InChIInChI=1S/C16H16F3N5O5/c17-16(18,19)12-3-20-4-13(24-12)23-8-1-10(25)11(28-6-8)7-29-14-5-21-9(2-22-14)15(26)27/h2-5,8,10-11,25H,1,6-7H2,(H,23,24)(H,26,27)/t8-,10-,11-/m1/s1
InChIKeyZYYFTPJRNYIUCG-FBIMIBRVSA-N
MW415.33 g/mol
LogP0.99
Rot. Bonds6

About 5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid

5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid (PubChem CID 177015289) has the molecular formula C16H16F3N5O5 and a molecular weight of 415.33 g/mol. Its IUPAC name is 5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid
PubChem CID177015289
Molecular FormulaC16H16F3N5O5
Molecular Weight415.33 g/mol
Exact Mass415.11
IUPAC Name5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OC[C@H]2OC[C@H](Nc3cncc(C(F)(F)F)n3)C[C@H]2O)cn1
InChIInChI=1S/C16H16F3N5O5/c17-16(18,19)12-3-20-4-13(24-12)23-8-1-10(25)11(28-6-8)7-29-14-5-21-9(2-22-14)15(26)27/h2-5,8,10-11,25H,1,6-7H2,(H,23,24)(H,26,27)/t8-,10-,11-/m1/s1
InChIKeyZYYFTPJRNYIUCG-FBIMIBRVSA-N
XLogP0.99
TPSA139.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid 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

5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pyrazine-2-carboxylic acid
CID 171556584
5-[(2S,3R,4R,5S)-4,5-dihydroxy-3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]pyrazine-2-carboxylic acid
CID 171556597
Methyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate;6-(trifluoromethyl)pyrazin-2-amine
CID 171556674
methyl 5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methylamino]pyrazine-2-carboxylate
CID 171556708
methyl 5-[[(3aR,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine-2-carboxylate
CID 171556909
5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 171557097
5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid
CID 171557106
(2R,3R,4R,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171557212
5-[[(3aR,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]pyrazine-2-carboxylic acid
CID 171557642
(2R,3R,4R,5S)-2-[[5-[3-(trifluoromethyl)piperazin-1-yl]pyrazin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171558311
(3R,4R,5S)-2-[(5-piperazin-1-ylpyrazin-2-yl)oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171558348
(2R,3R,4R,5S)-2-[(5-piperazin-1-ylpyrazin-2-yl)oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171558568

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid (CID 177015289) is 5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid is O=C(O)c1cnc(OC[C@H]2OC[C@H](Nc3cncc(C(F)(F)F)n3)C[C@H]2O)cn1.
What is the InChIKey of 5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid?
The InChIKey is ZYYFTPJRNYIUCG-FBIMIBRVSA-N. The full InChI is InChI=1S/C16H16F3N5O5/c17-16(18,19)12-3-20-4-13(24-12)23-8-1-10(25)11(28-6-8)7-29-14-5-21-9(2-22-14)15(26)27/h2-5,8,10-11,25H,1,6-7H2,(H,23,24)(H,26,27)/t8-,10-,11-/m1/s1.
What are the key properties of 5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid?
5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid has a molecular weight of 415.33 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R,3R,5R)-3-hydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid is sourced from PubChem (CID 177015289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).