2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine

C19H20FN5O — CID 118740130

IUPAC2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCn1cc(CN2CCOC(c3nccnc3-c3cccc(F)c3)C2)cn1
InChIInChI=1S/C19H20FN5O/c1-24-11-14(10-23-24)12-25-7-8-26-17(13-25)19-18(21-5-6-22-19)15-3-2-4-16(20)9-15/h2-6,9-11,17H,7-8,12-13H2,1H3
InChIKeyUMZCKCCWGMYNAS-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.59
Rot. Bonds4

About 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine

2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine (PubChem CID 118740130) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
PubChem CID118740130
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCn1cc(CN2CCOC(c3nccnc3-c3cccc(F)c3)C2)cn1
InChIInChI=1S/C19H20FN5O/c1-24-11-14(10-23-24)12-25-7-8-26-17(13-25)19-18(21-5-6-22-19)15-3-2-4-16(20)9-15/h2-6,9-11,17H,7-8,12-13H2,1H3
InChIKeyUMZCKCCWGMYNAS-UHFFFAOYSA-N
XLogP2.59
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine (CID 118740130) is 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine is Cn1cc(CN2CCOC(c3nccnc3-c3cccc(F)c3)C2)cn1.
What is the InChIKey of 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The InChIKey is UMZCKCCWGMYNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-24-11-14(10-23-24)12-25-7-8-26-17(13-25)19-18(21-5-6-22-19)15-3-2-4-16(20)9-15/h2-6,9-11,17H,7-8,12-13H2,1H3.
What are the key properties of 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine has a molecular weight of 353.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 118740130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).