4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine

C23H23FN6O2 — CID 11259074

IUPAC4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
SMILESFc1ccc(Cn2nnc3ncc(-c4cccc(OCCN5CCOCC5)c4)nc32)cc1
InChIInChI=1S/C23H23FN6O2/c24-19-6-4-17(5-7-19)16-30-23-22(27-28-30)25-15-21(26-23)18-2-1-3-20(14-18)32-13-10-29-8-11-31-12-9-29/h1-7,14-15H,8-13,16H2
InChIKeyLBRSJIRWKUSQCA-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.79
Rot. Bonds7

About 4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine

4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine (PubChem CID 11259074) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
PubChem CID11259074
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
SMILESFc1ccc(Cn2nnc3ncc(-c4cccc(OCCN5CCOCC5)c4)nc32)cc1
InChIInChI=1S/C23H23FN6O2/c24-19-6-4-17(5-7-19)16-30-23-22(27-28-30)25-15-21(26-23)18-2-1-3-20(14-18)32-13-10-29-8-11-31-12-9-29/h1-7,14-15H,8-13,16H2
InChIKeyLBRSJIRWKUSQCA-UHFFFAOYSA-N
XLogP2.79
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine
CID 141374478
4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
CID 58289756
6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851840
1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea
CID 16747501
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 70195581
4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride
CID 66985501
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109
1-ethyl-3-[3-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea
CID 59849671
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 14722198
6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 59341868

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine (CID 11259074) is 4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine is Fc1ccc(Cn2nnc3ncc(-c4cccc(OCCN5CCOCC5)c4)nc32)cc1.
What is the InChIKey of 4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine?
The InChIKey is LBRSJIRWKUSQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c24-19-6-4-17(5-7-19)16-30-23-22(27-28-30)25-15-21(26-23)18-2-1-3-20(14-18)32-13-10-29-8-11-31-12-9-29/h1-7,14-15H,8-13,16H2.
What are the key properties of 4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine?
4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine has a molecular weight of 434.48 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 11259074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).