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

C18H24F2N4O3 — CID 90203502

IUPAC[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)COCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C18H24F2N4O3/c1-17(2)11-26-6-5-24(17)16(25)13-7-21-14(23-9-18(19,20)10-23)15(22-13)27-8-12-3-4-12/h7,12H,3-6,8-11H2,1-2H3
InChIKeyRADWJJYFOOUQDK-UHFFFAOYSA-N
MW382.41 g/mol
LogP1.97
Rot. Bonds5

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

[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 90203502) has the molecular formula C18H24F2N4O3 and a molecular weight of 382.41 g/mol. Its IUPAC name is [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-dimethylmorpholin-4-yl)methanone
PubChem CID90203502
Molecular FormulaC18H24F2N4O3
Molecular Weight382.41 g/mol
Exact Mass382.18
IUPAC Name[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)COCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C18H24F2N4O3/c1-17(2)11-26-6-5-24(17)16(25)13-7-21-14(23-9-18(19,20)10-23)15(22-13)27-8-12-3-4-12/h7,12H,3-6,8-11H2,1-2H3
InChIKeyRADWJJYFOOUQDK-UHFFFAOYSA-N
XLogP1.97
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-dimethylmorpholin-4-yl)methanone (CID 90203502) is [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-dimethylmorpholin-4-yl)methanone is CC1(C)COCCN1C(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-dimethylmorpholin-4-yl)methanone?
The InChIKey is RADWJJYFOOUQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O3/c1-17(2)11-26-6-5-24(17)16(25)13-7-21-14(23-9-18(19,20)10-23)15(22-13)27-8-12-3-4-12/h7,12H,3-6,8-11H2,1-2H3.
What are the key properties of [6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-dimethylmorpholin-4-yl)methanone?
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl]-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 382.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 90203502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).