5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid

C17H16F3N3O5 — CID 177015390

IUPAC5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OCC2OCCCC2Oc2cccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C17H16F3N3O5/c18-17(19,20)13-4-1-5-14(23-13)28-11-3-2-6-26-12(11)9-27-15-8-21-10(7-22-15)16(24)25/h1,4-5,7-8,11-12H,2-3,6,9H2,(H,24,25)
InChIKeyXYCPGTMGTCSCQP-UHFFFAOYSA-N
MW399.33 g/mol
LogP2.59
Rot. Bonds6

About 5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid

5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid (PubChem CID 177015390) has the molecular formula C17H16F3N3O5 and a molecular weight of 399.33 g/mol. Its IUPAC name is 5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid
PubChem CID177015390
Molecular FormulaC17H16F3N3O5
Molecular Weight399.33 g/mol
Exact Mass399.10
IUPAC Name5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OCC2OCCCC2Oc2cccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C17H16F3N3O5/c18-17(19,20)13-4-1-5-14(23-13)28-11-3-2-6-26-12(11)9-27-15-8-21-10(7-22-15)16(24)25/h1,4-5,7-8,11-12H,2-3,6,9H2,(H,24,25)
InChIKeyXYCPGTMGTCSCQP-UHFFFAOYSA-N
XLogP2.59
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]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-(Cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
CID 67505135
5-(Pyridin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
CID 68797946
5-(2-Methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
CID 68798403
5-(Pyrazin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
CID 68798509
6-(4-Fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid
CID 68800724
2-[[4-[3-[[6-(Trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]piperidin-1-yl]methyl]prop-2-enoic acid
CID 170161284
tert-butyl 5-[[(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]methoxy]pyrazine-2-carboxylate
CID 171557239
(2R,3R,4S,5S)-2-(pyridin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557341
(2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557382
5-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid
CID 171557998
5-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid
CID 171558265
(2R,3R,4S,5S)-2-(pyrazin-2-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171558337

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid (CID 177015390) is 5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid is O=C(O)c1cnc(OCC2OCCCC2Oc2cccc(C(F)(F)F)n2)cn1.
What is the InChIKey of 5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid?
The InChIKey is XYCPGTMGTCSCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O5/c18-17(19,20)13-4-1-5-14(23-13)28-11-3-2-6-26-12(11)9-27-15-8-21-10(7-22-15)16(24)25/h1,4-5,7-8,11-12H,2-3,6,9H2,(H,24,25).
What are the key properties of 5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid?
5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid has a molecular weight of 399.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methoxy]pyrazine-2-carboxylic acid is sourced from PubChem (CID 177015390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).