2-[(3-fluorophenyl)methyl]-3-methyl-7-(3-methyloxolan-3-yl)-6H-pyrazino[1,2-a]pyrazin-1-one

C20H22FN3O2 — CID 155016263

IUPAC2-[(3-fluorophenyl)methyl]-3-methyl-7-(3-methyloxolan-3-yl)-6H-pyrazino[1,2-a]pyrazin-1-one
SMILESCC1=CN2CC(C3(C)CCOC3)=NC=C2C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C20H22FN3O2/c1-14-10-23-12-18(20(2)6-7-26-13-20)22-9-17(23)19(25)24(14)11-15-4-3-5-16(21)8-15/h3-5,8-10H,6-7,11-13H2,1-2H3
InChIKeyHCGBYQXMUYATAP-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.05
Rot. Bonds3

About 2-[(3-fluorophenyl)methyl]-3-methyl-7-(3-methyloxolan-3-yl)-6H-pyrazino[1,2-a]pyrazin-1-one

2-[(3-fluorophenyl)methyl]-3-methyl-7-(3-methyloxolan-3-yl)-6H-pyrazino[1,2-a]pyrazin-1-one (PubChem CID 155016263) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-methyl-7-(3-methyloxolan-3-yl)-6H-pyrazino[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-methyl-7-(3-methyloxolan-3-yl)-6H-pyrazino[1,2-a]pyrazin-1-one
PubChem CID155016263
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-[(3-fluorophenyl)methyl]-3-methyl-7-(3-methyloxolan-3-yl)-6H-pyrazino[1,2-a]pyrazin-1-one
SMILESCC1=CN2CC(C3(C)CCOC3)=NC=C2C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C20H22FN3O2/c1-14-10-23-12-18(20(2)6-7-26-13-20)22-9-17(23)19(25)24(14)11-15-4-3-5-16(21)8-15/h3-5,8-10H,6-7,11-13H2,1-2H3
InChIKeyHCGBYQXMUYATAP-UHFFFAOYSA-N
XLogP3.05
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.05
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]-3-methyl-7-(3-methyloxolan-3-yl)-6H-pyrazino[1,2-a]pyrazin-1-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-methyl-7-(3-methyloxolan-3-yl)-6H-pyrazino[1,2-a]pyrazin-1-one (CID 155016263) is 2-[(3-fluorophenyl)methyl]-3-methyl-7-(3-methyloxolan-3-yl)-6H-pyrazino[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-methyl-7-(3-methyloxolan-3-yl)-6H-pyrazino[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-methyl-7-(3-methyloxolan-3-yl)-6H-pyrazino[1,2-a]pyrazin-1-one is CC1=CN2CC(C3(C)CCOC3)=NC=C2C(=O)N1Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-methyl-7-(3-methyloxolan-3-yl)-6H-pyrazino[1,2-a]pyrazin-1-one?
The InChIKey is HCGBYQXMUYATAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-14-10-23-12-18(20(2)6-7-26-13-20)22-9-17(23)19(25)24(14)11-15-4-3-5-16(21)8-15/h3-5,8-10H,6-7,11-13H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-methyl-7-(3-methyloxolan-3-yl)-6H-pyrazino[1,2-a]pyrazin-1-one?
2-[(3-fluorophenyl)methyl]-3-methyl-7-(3-methyloxolan-3-yl)-6H-pyrazino[1,2-a]pyrazin-1-one has a molecular weight of 355.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-methyl-7-(3-methyloxolan-3-yl)-6H-pyrazino[1,2-a]pyrazin-1-one is sourced from PubChem (CID 155016263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).