2-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine

C15H16BrFN4O — CID 171701022

IUPAC2-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine
SMILESCc1cncc(OC2CCN(c3ncc(Br)cc3F)CC2)n1
InChIInChI=1S/C15H16BrFN4O/c1-10-7-18-9-14(20-10)22-12-2-4-21(5-3-12)15-13(17)6-11(16)8-19-15/h6-9,12H,2-5H2,1H3
InChIKeyOWWPNSHFVRANAT-UHFFFAOYSA-N
MW367.22 g/mol
LogP3.13
Rot. Bonds3

About 2-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine

2-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine (PubChem CID 171701022) has the molecular formula C15H16BrFN4O and a molecular weight of 367.22 g/mol. Its IUPAC name is 2-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine.

Molecular Properties

Compound Name2-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine
PubChem CID171701022
Molecular FormulaC15H16BrFN4O
Molecular Weight367.22 g/mol
Exact Mass366.05
IUPAC Name2-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine
SMILESCc1cncc(OC2CCN(c3ncc(Br)cc3F)CC2)n1
InChIInChI=1S/C15H16BrFN4O/c1-10-7-18-9-14(20-10)22-12-2-4-21(5-3-12)15-13(17)6-11(16)8-19-15/h6-9,12H,2-5H2,1H3
InChIKeyOWWPNSHFVRANAT-UHFFFAOYSA-N
XLogP3.13
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(6-Methyl-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
CID 15838013
2,3-Dimethyl-5-[4-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]butoxy]pyrazine
CID 139654539
8-(6-Propan-2-yloxypyrazin-2-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]-2,8-diazaspiro[4.5]decane
CID 168208504
N-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
CID 169200990
2-bromo-5-[(3R)-4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)piperazin-1-yl]pyrazine
CID 172272008
3-[4-(5-fluoro-2-pyridinyl)morpholin-2-yl]-N,N-dimethylpyrazin-2-amine
CID 110113039
3-[(2R)-4-(5-fluoro-2-pyridinyl)morpholin-2-yl]-N,N-dimethylpyrazin-2-amine
CID 124947380
3-[(2S)-4-(5-fluoro-2-pyridinyl)morpholin-2-yl]-N,N-dimethylpyrazin-2-amine
CID 124947381
2-[1-(3-Fluoro-2-pyridinyl)piperidin-4-yl]oxypyrazine
CID 128124201
2-[4-(6-Fluoro-2-pyridinyl)piperazin-1-yl]-6-methoxypyrazine
CID 132477436
2-Methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazine
CID 132477463
2-[1-(5-Fluoropyridin-2-yl)piperidin-4-yl]oxypyrazine
CID 137978423

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine?
The IUPAC name of 2-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine (CID 171701022) is 2-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine.
What is the SMILES notation for 2-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine?
The canonical SMILES for 2-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine is Cc1cncc(OC2CCN(c3ncc(Br)cc3F)CC2)n1.
What is the InChIKey of 2-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine?
The InChIKey is OWWPNSHFVRANAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN4O/c1-10-7-18-9-14(20-10)22-12-2-4-21(5-3-12)15-13(17)6-11(16)8-19-15/h6-9,12H,2-5H2,1H3.
What are the key properties of 2-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine?
2-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine has a molecular weight of 367.22 g/mol, XLogP of 3.13, 3 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]oxy-6-methylpyrazine is sourced from PubChem (CID 171701022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).