[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone

C16H16F6N4O2 — CID 90203704

IUPAC[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone
SMILESO=C(c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C16H16F6N4O2/c17-14(18)5-25(6-14)11-12(28-4-9-1-2-9)24-10(3-23-11)13(27)26-7-15(19,20)16(21,22)8-26/h3,9H,1-2,4-8H2
InChIKeyNPOSXWDUCSOJAX-UHFFFAOYSA-N
MW410.32 g/mol
LogP2.45
Rot. Bonds5

About [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone

[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone (PubChem CID 90203704) has the molecular formula C16H16F6N4O2 and a molecular weight of 410.32 g/mol. Its IUPAC name is [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone
PubChem CID90203704
Molecular FormulaC16H16F6N4O2
Molecular Weight410.32 g/mol
Exact Mass410.12
IUPAC Name[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone
SMILESO=C(c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C16H16F6N4O2/c17-14(18)5-25(6-14)11-12(28-4-9-1-2-9)24-10(3-23-11)13(27)26-7-15(19,20)16(21,22)8-26/h3,9H,1-2,4-8H2
InChIKeyNPOSXWDUCSOJAX-UHFFFAOYSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone?
The IUPAC name of [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone (CID 90203704) is [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone?
The canonical SMILES for [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone is O=C(c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CC(F)(F)C(F)(F)C1.
What is the InChIKey of [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone?
The InChIKey is NPOSXWDUCSOJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F6N4O2/c17-14(18)5-25(6-14)11-12(28-4-9-1-2-9)24-10(3-23-11)13(27)26-7-15(19,20)16(21,22)8-26/h3,9H,1-2,4-8H2.
What are the key properties of [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone?
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone has a molecular weight of 410.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 90203704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).