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

C23H23FN6O2 — CID 11419123

IUPAC4-[2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
SMILESFc1ccc(Cn2nnc3ncc(-c4ccc(OCCN5CCOCC5)cc4)nc32)cc1
InChIInChI=1S/C23H23FN6O2/c24-19-5-1-17(2-6-19)16-30-23-22(27-28-30)25-15-21(26-23)18-3-7-20(8-4-18)32-14-11-29-9-12-31-13-10-29/h1-8,15H,9-14,16H2
InChIKeyQSQIRXILSAGPRP-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.79
Rot. Bonds7

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

4-[2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine (PubChem CID 11419123) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-[2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
PubChem CID11419123
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name4-[2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
SMILESFc1ccc(Cn2nnc3ncc(-c4ccc(OCCN5CCOCC5)cc4)nc32)cc1
InChIInChI=1S/C23H23FN6O2/c24-19-5-1-17(2-6-19)16-30-23-22(27-28-30)25-15-21(26-23)18-3-7-20(8-4-18)32-14-11-29-9-12-31-13-10-29/h1-8,15H,9-14,16H2
InChIKeyQSQIRXILSAGPRP-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

Dorsomorphin
CID 11524144
Amg-208
CID 24864821
Taletrectinib
CID 72202474
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329447
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
Methyl substituted pyrazole, 27
CID 23648674
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
AZ-Tak1
CID 71543324
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine (CID 11419123) is 4-[2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine is Fc1ccc(Cn2nnc3ncc(-c4ccc(OCCN5CCOCC5)cc4)nc32)cc1.
What is the InChIKey of 4-[2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine?
The InChIKey is QSQIRXILSAGPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c24-19-5-1-17(2-6-19)16-30-23-22(27-28-30)25-15-21(26-23)18-3-7-20(8-4-18)32-14-11-29-9-12-31-13-10-29/h1-8,15H,9-14,16H2.
What are the key properties of 4-[2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine?
4-[2-[4-[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-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 11419123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).