[5-(3,3-difluoroazetidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone

C16H19F5N4O2 — CID 90203594

IUPAC[5-(3,3-difluoroazetidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC(F)(F)F)n1
InChIInChI=1S/C16H19F5N4O2/c1-14(2)4-3-5-25(14)13(26)10-6-22-11(24-7-15(17,18)8-24)12(23-10)27-9-16(19,20)21/h6H,3-5,7-9H2,1-2H3
InChIKeyZGEGFXUPPMEWHZ-UHFFFAOYSA-N
MW394.34 g/mol
LogP2.89
Rot. Bonds4

About [5-(3,3-difluoroazetidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone

[5-(3,3-difluoroazetidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone (PubChem CID 90203594) has the molecular formula C16H19F5N4O2 and a molecular weight of 394.34 g/mol. Its IUPAC name is [5-(3,3-difluoroazetidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3,3-difluoroazetidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
PubChem CID90203594
Molecular FormulaC16H19F5N4O2
Molecular Weight394.34 g/mol
Exact Mass394.14
IUPAC Name[5-(3,3-difluoroazetidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC(F)(F)F)n1
InChIInChI=1S/C16H19F5N4O2/c1-14(2)4-3-5-25(14)13(26)10-6-22-11(24-7-15(17,18)8-24)12(23-10)27-9-16(19,20)21/h6H,3-5,7-9H2,1-2H3
InChIKeyZGEGFXUPPMEWHZ-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3,3-difluoroazetidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(3,3-difluoroazetidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone (CID 90203594) is [5-(3,3-difluoroazetidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(3,3-difluoroazetidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(3,3-difluoroazetidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone is CC1(C)CCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC(F)(F)F)n1.
What is the InChIKey of [5-(3,3-difluoroazetidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is ZGEGFXUPPMEWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F5N4O2/c1-14(2)4-3-5-25(14)13(26)10-6-22-11(24-7-15(17,18)8-24)12(23-10)27-9-16(19,20)21/h6H,3-5,7-9H2,1-2H3.
What are the key properties of [5-(3,3-difluoroazetidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
[5-(3,3-difluoroazetidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 394.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3-difluoroazetidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 90203594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).