[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone

C21H19FN4O2 — CID 127249940

IUPAC[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCOC(c2cccc(Cc3ccccc3F)n2)C1
InChIInChI=1S/C21H19FN4O2/c22-17-6-2-1-4-15(17)12-16-5-3-7-18(25-16)20-14-26(10-11-28-20)21(27)19-13-23-8-9-24-19/h1-9,13,20H,10-12,14H2
InChIKeyGERNLEGKTVSDIV-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.82
Rot. Bonds4

About [2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone

[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone (PubChem CID 127249940) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is [2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
PubChem CID127249940
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCOC(c2cccc(Cc3ccccc3F)n2)C1
InChIInChI=1S/C21H19FN4O2/c22-17-6-2-1-4-15(17)12-16-5-3-7-18(25-16)20-14-26(10-11-28-20)21(27)19-13-23-8-9-24-19/h1-9,13,20H,10-12,14H2
InChIKeyGERNLEGKTVSDIV-UHFFFAOYSA-N
XLogP2.82
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone (CID 127249940) is [2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCOC(c2cccc(Cc3ccccc3F)n2)C1.
What is the InChIKey of [2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone?
The InChIKey is GERNLEGKTVSDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-17-6-2-1-4-15(17)12-16-5-3-7-18(25-16)20-14-26(10-11-28-20)21(27)19-13-23-8-9-24-19/h1-9,13,20H,10-12,14H2.
What are the key properties of [2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone?
[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone has a molecular weight of 378.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 127249940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).