2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine

C16H18BrFN4O — CID 165433140

IUPAC2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine
SMILESCc1nccnc1OCC1CCN(c2ncc(Br)cc2F)CC1
InChIInChI=1S/C16H18BrFN4O/c1-11-16(20-5-4-19-11)23-10-12-2-6-22(7-3-12)15-14(18)8-13(17)9-21-15/h4-5,8-9,12H,2-3,6-7,10H2,1H3
InChIKeyLGFSOWKQYPCKQR-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.38
Rot. Bonds4

About 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine

2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine (PubChem CID 165433140) has the molecular formula C16H18BrFN4O and a molecular weight of 381.25 g/mol. Its IUPAC name is 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine.

Molecular Properties

Compound Name2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine
PubChem CID165433140
Molecular FormulaC16H18BrFN4O
Molecular Weight381.25 g/mol
Exact Mass380.06
IUPAC Name2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine
SMILESCc1nccnc1OCC1CCN(c2ncc(Br)cc2F)CC1
InChIInChI=1S/C16H18BrFN4O/c1-11-16(20-5-4-19-11)23-10-12-2-6-22(7-3-12)15-14(18)8-13(17)9-21-15/h4-5,8-9,12H,2-3,6-7,10H2,1H3
InChIKeyLGFSOWKQYPCKQR-UHFFFAOYSA-N
XLogP3.38
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine?
The IUPAC name of 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine (CID 165433140) is 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine.
What is the SMILES notation for 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine?
The canonical SMILES for 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine is Cc1nccnc1OCC1CCN(c2ncc(Br)cc2F)CC1.
What is the InChIKey of 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine?
The InChIKey is LGFSOWKQYPCKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN4O/c1-11-16(20-5-4-19-11)23-10-12-2-6-22(7-3-12)15-14(18)8-13(17)9-21-15/h4-5,8-9,12H,2-3,6-7,10H2,1H3.
What are the key properties of 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine?
2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine has a molecular weight of 381.25 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine is sourced from PubChem (CID 165433140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).