2-[(3-fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine

C20H24FN3O — CID 110253646

IUPAC2-[(3-fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine
SMILESFc1cccc(Cc2cncc(C3CCCN3C3CCOCC3)n2)c1
InChIInChI=1S/C20H24FN3O/c21-16-4-1-3-15(11-16)12-17-13-22-14-19(23-17)20-5-2-8-24(20)18-6-9-25-10-7-18/h1,3-4,11,13-14,18,20H,2,5-10,12H2
InChIKeyLRWMGZAQUPGQFP-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.52
Rot. Bonds4

About 2-[(3-fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine

2-[(3-fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine (PubChem CID 110253646) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine
PubChem CID110253646
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name2-[(3-fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine
SMILESFc1cccc(Cc2cncc(C3CCCN3C3CCOCC3)n2)c1
InChIInChI=1S/C20H24FN3O/c21-16-4-1-3-15(11-16)12-17-13-22-14-19(23-17)20-5-2-8-24(20)18-6-9-25-10-7-18/h1,3-4,11,13-14,18,20H,2,5-10,12H2
InChIKeyLRWMGZAQUPGQFP-UHFFFAOYSA-N
XLogP3.52
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine (CID 110253646) is 2-[(3-fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine is Fc1cccc(Cc2cncc(C3CCCN3C3CCOCC3)n2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine?
The InChIKey is LRWMGZAQUPGQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-16-4-1-3-15(11-16)12-17-13-22-14-19(23-17)20-5-2-8-24(20)18-6-9-25-10-7-18/h1,3-4,11,13-14,18,20H,2,5-10,12H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine?
2-[(3-fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine has a molecular weight of 341.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 110253646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).