2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine

C13H19F2N5O — CID 128843179

IUPAC2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine
SMILESFC(F)Oc1nccnc1N1CCN(C2CCNC2)CC1
InChIInChI=1S/C13H19F2N5O/c14-13(15)21-12-11(17-3-4-18-12)20-7-5-19(6-8-20)10-1-2-16-9-10/h3-4,10,13,16H,1-2,5-9H2
InChIKeyLSKRXHVAWGDHPZ-UHFFFAOYSA-N
MW299.32 g/mol
LogP0.56
Rot. Bonds4

About 2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine

2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine (PubChem CID 128843179) has the molecular formula C13H19F2N5O and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine
PubChem CID128843179
Molecular FormulaC13H19F2N5O
Molecular Weight299.32 g/mol
Exact Mass299.16
IUPAC Name2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine
SMILESFC(F)Oc1nccnc1N1CCN(C2CCNC2)CC1
InChIInChI=1S/C13H19F2N5O/c14-13(15)21-12-11(17-3-4-18-12)20-7-5-19(6-8-20)10-1-2-16-9-10/h3-4,10,13,16H,1-2,5-9H2
InChIKeyLSKRXHVAWGDHPZ-UHFFFAOYSA-N
XLogP0.56
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine (CID 128843179) is 2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine is FC(F)Oc1nccnc1N1CCN(C2CCNC2)CC1.
What is the InChIKey of 2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine?
The InChIKey is LSKRXHVAWGDHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5O/c14-13(15)21-12-11(17-3-4-18-12)20-7-5-19(6-8-20)10-1-2-16-9-10/h3-4,10,13,16H,1-2,5-9H2.
What are the key properties of 2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine?
2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine has a molecular weight of 299.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 128843179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).