2-ethoxy-6-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine

C16H20F3N5O — CID 128977590

IUPAC2-ethoxy-6-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine
SMILESCCOc1cncc(N2CCCC(c3nc(C(F)(F)F)cn3C)C2)n1
InChIInChI=1S/C16H20F3N5O/c1-3-25-14-8-20-7-13(22-14)24-6-4-5-11(9-24)15-21-12(10-23(15)2)16(17,18)19/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyOLQKJFBVTRJWRN-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.01
Rot. Bonds4

About 2-ethoxy-6-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine

2-ethoxy-6-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine (PubChem CID 128977590) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-ethoxy-6-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-ethoxy-6-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine
PubChem CID128977590
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name2-ethoxy-6-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine
SMILESCCOc1cncc(N2CCCC(c3nc(C(F)(F)F)cn3C)C2)n1
InChIInChI=1S/C16H20F3N5O/c1-3-25-14-8-20-7-13(22-14)24-6-4-5-11(9-24)15-21-12(10-23(15)2)16(17,18)19/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyOLQKJFBVTRJWRN-UHFFFAOYSA-N
XLogP3.01
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine?
The IUPAC name of 2-ethoxy-6-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine (CID 128977590) is 2-ethoxy-6-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-ethoxy-6-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine?
The canonical SMILES for 2-ethoxy-6-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine is CCOc1cncc(N2CCCC(c3nc(C(F)(F)F)cn3C)C2)n1.
What is the InChIKey of 2-ethoxy-6-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine?
The InChIKey is OLQKJFBVTRJWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-3-25-14-8-20-7-13(22-14)24-6-4-5-11(9-24)15-21-12(10-23(15)2)16(17,18)19/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 2-ethoxy-6-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine?
2-ethoxy-6-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine has a molecular weight of 355.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 128977590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).