[2-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-(2-pyrazin-2-ylethynyl)-3-pyridinyl]methanol

C18H19FN4O2 — CID 77265974

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-(2-pyrazin-2-ylethynyl)-3-pyridinyl]methanol
SMILESCC1CN(c2nc(F)c(C#Cc3cnccn3)cc2CO)CC(C)O1
InChIInChI=1S/C18H19FN4O2/c1-12-9-23(10-13(2)25-12)18-15(11-24)7-14(17(19)22-18)3-4-16-8-20-5-6-21-16/h5-8,12-13,24H,9-11H2,1-2H3
InChIKeyFJJAFLXWUVACDJ-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.52
Rot. Bonds2

About [2-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-(2-pyrazin-2-ylethynyl)-3-pyridinyl]methanol

[2-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-(2-pyrazin-2-ylethynyl)-3-pyridinyl]methanol (PubChem CID 77265974) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-(2-pyrazin-2-ylethynyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-(2-pyrazin-2-ylethynyl)-3-pyridinyl]methanol
PubChem CID77265974
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-(2-pyrazin-2-ylethynyl)-3-pyridinyl]methanol
SMILESCC1CN(c2nc(F)c(C#Cc3cnccn3)cc2CO)CC(C)O1
InChIInChI=1S/C18H19FN4O2/c1-12-9-23(10-13(2)25-12)18-15(11-24)7-14(17(19)22-18)3-4-16-8-20-5-6-21-16/h5-8,12-13,24H,9-11H2,1-2H3
InChIKeyFJJAFLXWUVACDJ-UHFFFAOYSA-N
XLogP1.52
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-(2-pyrazin-2-ylethynyl)-3-pyridinyl]methanol?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-(2-pyrazin-2-ylethynyl)-3-pyridinyl]methanol (CID 77265974) is [2-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-(2-pyrazin-2-ylethynyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-(2-pyrazin-2-ylethynyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-(2-pyrazin-2-ylethynyl)-3-pyridinyl]methanol is CC1CN(c2nc(F)c(C#Cc3cnccn3)cc2CO)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-(2-pyrazin-2-ylethynyl)-3-pyridinyl]methanol?
The InChIKey is FJJAFLXWUVACDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-12-9-23(10-13(2)25-12)18-15(11-24)7-14(17(19)22-18)3-4-16-8-20-5-6-21-16/h5-8,12-13,24H,9-11H2,1-2H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-(2-pyrazin-2-ylethynyl)-3-pyridinyl]methanol?
[2-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-(2-pyrazin-2-ylethynyl)-3-pyridinyl]methanol has a molecular weight of 342.37 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-6-fluoro-5-(2-pyrazin-2-ylethynyl)-3-pyridinyl]methanol is sourced from PubChem (CID 77265974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).