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

C17H18F4N4O — CID 165433089

IUPAC2-[[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]-3-methylpyrazine
SMILESCc1nccnc1OCC1CCN(c2ncc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C17H18F4N4O/c1-11-16(23-5-4-22-11)26-10-12-2-6-25(7-3-12)15-14(18)8-13(9-24-15)17(19,20)21/h4-5,8-9,12H,2-3,6-7,10H2,1H3
InChIKeyWNTDYCLHJGJHBE-UHFFFAOYSA-N
MW370.35 g/mol
LogP3.63
Rot. Bonds4

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

2-[[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]-3-methylpyrazine (PubChem CID 165433089) has the molecular formula C17H18F4N4O and a molecular weight of 370.35 g/mol. Its IUPAC name is 2-[[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]-3-methylpyrazine.

Molecular Properties

Compound Name2-[[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]-3-methylpyrazine
PubChem CID165433089
Molecular FormulaC17H18F4N4O
Molecular Weight370.35 g/mol
Exact Mass370.14
IUPAC Name2-[[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]-3-methylpyrazine
SMILESCc1nccnc1OCC1CCN(c2ncc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C17H18F4N4O/c1-11-16(23-5-4-22-11)26-10-12-2-6-25(7-3-12)15-14(18)8-13(9-24-15)17(19,20)21/h4-5,8-9,12H,2-3,6-7,10H2,1H3
InChIKeyWNTDYCLHJGJHBE-UHFFFAOYSA-N
XLogP3.63
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]-3-methylpyrazine?
The IUPAC name of 2-[[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]-3-methylpyrazine (CID 165433089) is 2-[[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]-3-methylpyrazine.
What is the SMILES notation for 2-[[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]-3-methylpyrazine?
The canonical SMILES for 2-[[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]-3-methylpyrazine is Cc1nccnc1OCC1CCN(c2ncc(C(F)(F)F)cc2F)CC1.
What is the InChIKey of 2-[[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]-3-methylpyrazine?
The InChIKey is WNTDYCLHJGJHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N4O/c1-11-16(23-5-4-22-11)26-10-12-2-6-25(7-3-12)15-14(18)8-13(9-24-15)17(19,20)21/h4-5,8-9,12H,2-3,6-7,10H2,1H3.
What are the key properties of 2-[[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]-3-methylpyrazine?
2-[[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]-3-methylpyrazine has a molecular weight of 370.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]-3-methylpyrazine is sourced from PubChem (CID 165433089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).