pyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone

C16H15F3N4O3 — CID 75536859

IUPACpyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1cnccn1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H15F3N4O3/c17-16(18,19)11-1-2-14(22-7-11)26-12-9-23(5-6-25-10-12)15(24)13-8-20-3-4-21-13/h1-4,7-8,12H,5-6,9-10H2/t12-/m1/s1
InChIKeyVUTXHIAICYOIPT-GFCCVEGCSA-N
MW368.32 g/mol
LogP1.81
Rot. Bonds3

About pyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone

pyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone (PubChem CID 75536859) has the molecular formula C16H15F3N4O3 and a molecular weight of 368.32 g/mol. Its IUPAC name is pyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone
PubChem CID75536859
Molecular FormulaC16H15F3N4O3
Molecular Weight368.32 g/mol
Exact Mass368.11
IUPAC Namepyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1cnccn1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H15F3N4O3/c17-16(18,19)11-1-2-14(22-7-11)26-12-9-23(5-6-25-10-12)15(24)13-8-20-3-4-21-13/h1-4,7-8,12H,5-6,9-10H2/t12-/m1/s1
InChIKeyVUTXHIAICYOIPT-GFCCVEGCSA-N
XLogP1.81
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze pyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone with MolForge

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 38533787
N-[(2-methoxy-3-pyridinyl)methyl]-5-methylpyrazine-2-carboxamide
CID 38533855
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 45827489
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 45827493
[2-(Phenoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 46100166
(2,5-dimethylpyrazol-3-yl)-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone
CID 75367646
pyridin-3-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone
CID 75411568
(6R)-4-(pyridin-3-ylmethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepane
CID 75411574
US11964973, Example 367
CID 156527431
N-[(2-ethoxypyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 38537616
N-[(2-Methoxypyridin-3-YL)methyl]-N-methylpyrazine-2-carboxamide
CID 53184992
pyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone
CID 75536892

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone?
The IUPAC name of pyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone (CID 75536859) is pyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone is O=C(c1cnccn1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of pyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone?
The InChIKey is VUTXHIAICYOIPT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15F3N4O3/c17-16(18,19)11-1-2-14(22-7-11)26-12-9-23(5-6-25-10-12)15(24)13-8-20-3-4-21-13/h1-4,7-8,12H,5-6,9-10H2/t12-/m1/s1.
What are the key properties of pyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone?
pyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone has a molecular weight of 368.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 75536859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).