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

C16H18BrFN4O — CID 163350402

IUPAC3-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(OC2CCN(c3ncc(Br)cc3F)CC2)n1
InChIInChI=1S/C16H18BrFN4O/c1-10-8-19-11(2)16(21-10)23-13-3-5-22(6-4-13)15-14(18)7-12(17)9-20-15/h7-9,13H,3-6H2,1-2H3
InChIKeyKECZCVNVJVTKOT-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.44
Rot. Bonds3

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

3-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine (PubChem CID 163350402) has the molecular formula C16H18BrFN4O and a molecular weight of 381.25 g/mol. Its IUPAC name is 3-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine
PubChem CID163350402
Molecular FormulaC16H18BrFN4O
Molecular Weight381.25 g/mol
Exact Mass380.06
IUPAC Name3-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(OC2CCN(c3ncc(Br)cc3F)CC2)n1
InChIInChI=1S/C16H18BrFN4O/c1-10-8-19-11(2)16(21-10)23-13-3-5-22(6-4-13)15-14(18)7-12(17)9-20-15/h7-9,13H,3-6H2,1-2H3
InChIKeyKECZCVNVJVTKOT-UHFFFAOYSA-N
XLogP3.44
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Dimethyl-5-[4-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]butoxy]pyrazine
CID 139654539
2-[1-(3-Fluoro-2-pyridinyl)piperidin-4-yl]oxypyrazine
CID 128124201
2-[1-(5-Fluoropyridin-2-yl)piperidin-4-yl]oxypyrazine
CID 137978423
2,5-Dimethyl-3-({1-[3-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}oxy)pyrazine
CID 163350356
2,5-Dimethyl-3-({1-[4-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}oxy)pyrazine
CID 163350357
3-{[1-(3-Fluoropyridin-2-yl)piperidin-4-yl]oxy}-2,5-dimethylpyrazine
CID 163351030
2-{[1-(5-Bromo-3-fluoropyridin-2-yl)piperidin-3-yl]methoxy}pyrazine
CID 163354155
2-({1-[3-Bromo-5-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl}methoxy)pyrazine
CID 163354195
2-({1-[5-Bromo-3-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl}methoxy)pyrazine
CID 163354196
2-({1-[3-Fluoro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}methoxy)-3-methylpyrazine
CID 165433089
2-{[1-(5-Bromo-3-fluoropyridin-2-yl)piperidin-4-yl]methoxy}-3-methylpyrazine
CID 165433140
2-{[1-(3-Fluoropyridin-2-yl)piperidin-4-yl]methoxy}-3-methylpyrazine
CID 165434620

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The IUPAC name of 3-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine (CID 163350402) is 3-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The canonical SMILES for 3-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine is Cc1cnc(C)c(OC2CCN(c3ncc(Br)cc3F)CC2)n1.
What is the InChIKey of 3-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The InChIKey is KECZCVNVJVTKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN4O/c1-10-8-19-11(2)16(21-10)23-13-3-5-22(6-4-13)15-14(18)7-12(17)9-20-15/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 3-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine?
3-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine has a molecular weight of 381.25 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine is sourced from PubChem (CID 163350402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).