2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline

C21H21F2N5O — CID 54670858

IUPAC2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
SMILESFC1(F)CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C21H21F2N5O/c22-21(23)7-11-27(12-8-21)19-20(25-10-9-24-19)29-16-13-28(14-16)18-6-5-15-3-1-2-4-17(15)26-18/h1-6,9-10,16H,7-8,11-14H2
InChIKeyVOERJNLLFAFYLC-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.53
Rot. Bonds4

About 2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline

2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline (PubChem CID 54670858) has the molecular formula C21H21F2N5O and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
PubChem CID54670858
Molecular FormulaC21H21F2N5O
Molecular Weight397.43 g/mol
Exact Mass397.17
IUPAC Name2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
SMILESFC1(F)CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C21H21F2N5O/c22-21(23)7-11-27(12-8-21)19-20(25-10-9-24-19)29-16-13-28(14-16)18-6-5-15-3-1-2-4-17(15)26-18/h1-6,9-10,16H,7-8,11-14H2
InChIKeyVOERJNLLFAFYLC-UHFFFAOYSA-N
XLogP3.53
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline (CID 54670858) is 2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline is FC1(F)CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The InChIKey is VOERJNLLFAFYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O/c22-21(23)7-11-27(12-8-21)19-20(25-10-9-24-19)29-16-13-28(14-16)18-6-5-15-3-1-2-4-17(15)26-18/h1-6,9-10,16H,7-8,11-14H2.
What are the key properties of 2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline has a molecular weight of 397.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline is sourced from PubChem (CID 54670858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).