(2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine

C22H22FN3O2 — CID 124943789

IUPAC(2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine
SMILESCOc1ccc(-c2cncc([C@@H]3CN(Cc4ccccc4F)CCO3)n2)cc1
InChIInChI=1S/C22H22FN3O2/c1-27-18-8-6-16(7-9-18)20-12-24-13-21(25-20)22-15-26(10-11-28-22)14-17-4-2-3-5-19(17)23/h2-9,12-13,22H,10-11,14-15H2,1H3/t22-/m0/s1
InChIKeyBFBZJTNJVZOJSH-QFIPXVFZSA-N
MW379.44 g/mol
LogP3.86
Rot. Bonds5

About (2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine

(2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine (PubChem CID 124943789) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is (2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine.

Molecular Properties

Compound Name(2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine
PubChem CID124943789
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name(2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine
SMILESCOc1ccc(-c2cncc([C@@H]3CN(Cc4ccccc4F)CCO3)n2)cc1
InChIInChI=1S/C22H22FN3O2/c1-27-18-8-6-16(7-9-18)20-12-24-13-21(25-20)22-15-26(10-11-28-22)14-17-4-2-3-5-19(17)23/h2-9,12-13,22H,10-11,14-15H2,1H3/t22-/m0/s1
InChIKeyBFBZJTNJVZOJSH-QFIPXVFZSA-N
XLogP3.86
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine?
The IUPAC name of (2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine (CID 124943789) is (2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine.
What is the SMILES notation for (2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine?
The canonical SMILES for (2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine is COc1ccc(-c2cncc([C@@H]3CN(Cc4ccccc4F)CCO3)n2)cc1.
What is the InChIKey of (2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine?
The InChIKey is BFBZJTNJVZOJSH-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-27-18-8-6-16(7-9-18)20-12-24-13-21(25-20)22-15-26(10-11-28-22)14-17-4-2-3-5-19(17)23/h2-9,12-13,22H,10-11,14-15H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine?
(2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine has a molecular weight of 379.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine is sourced from PubChem (CID 124943789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).