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

C21H21F2N5O — CID 58547766

IUPAC2-[3-[3-(3,3-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
SMILESFC1(F)CCCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C21H21F2N5O/c22-21(23)8-3-11-27(14-21)19-20(25-10-9-24-19)29-16-12-28(13-16)18-7-6-15-4-1-2-5-17(15)26-18/h1-2,4-7,9-10,16H,3,8,11-14H2
InChIKeyNNTPXMOUFXJJFS-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.53
Rot. Bonds4

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

2-[3-[3-(3,3-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline (PubChem CID 58547766) has the molecular formula C21H21F2N5O and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-[3-[3-(3,3-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(3,3-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
PubChem CID58547766
Molecular FormulaC21H21F2N5O
Molecular Weight397.43 g/mol
Exact Mass397.17
IUPAC Name2-[3-[3-(3,3-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
SMILESFC1(F)CCCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C21H21F2N5O/c22-21(23)8-3-11-27(14-21)19-20(25-10-9-24-19)29-16-12-28(13-16)18-7-6-15-4-1-2-5-17(15)26-18/h1-2,4-7,9-10,16H,3,8,11-14H2
InChIKeyNNTPXMOUFXJJFS-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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,3-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(3,3-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline (CID 58547766) is 2-[3-[3-(3,3-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(3,3-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(3,3-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline is FC1(F)CCCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)C1.
What is the InChIKey of 2-[3-[3-(3,3-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The InChIKey is NNTPXMOUFXJJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O/c22-21(23)8-3-11-27(14-21)19-20(25-10-9-24-19)29-16-12-28(13-16)18-7-6-15-4-1-2-5-17(15)26-18/h1-2,4-7,9-10,16H,3,8,11-14H2.
What are the key properties of 2-[3-[3-(3,3-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
2-[3-[3-(3,3-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-(3,3-difluoropiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline is sourced from PubChem (CID 58547766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).