2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C18H16FN5O3 — CID 67975838

IUPAC2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cncc(N2CCn3nc(COc4ccc(F)cc4)cc3C2=O)n1
InChIInChI=1S/C18H16FN5O3/c1-26-17-10-20-9-16(21-17)23-6-7-24-15(18(23)25)8-13(22-24)11-27-14-4-2-12(19)3-5-14/h2-5,8-10H,6-7,11H2,1H3
InChIKeyCPZOPAQJMHERMS-UHFFFAOYSA-N
MW369.36 g/mol
LogP2.06
Rot. Bonds5

About 2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67975838) has the molecular formula C18H16FN5O3 and a molecular weight of 369.36 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67975838
Molecular FormulaC18H16FN5O3
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC Name2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cncc(N2CCn3nc(COc4ccc(F)cc4)cc3C2=O)n1
InChIInChI=1S/C18H16FN5O3/c1-26-17-10-20-9-16(21-17)23-6-7-24-15(18(23)25)8-13(22-24)11-27-14-4-2-12(19)3-5-14/h2-5,8-10H,6-7,11H2,1H3
InChIKeyCPZOPAQJMHERMS-UHFFFAOYSA-N
XLogP2.06
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67975838) is 2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1cncc(N2CCn3nc(COc4ccc(F)cc4)cc3C2=O)n1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CPZOPAQJMHERMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O3/c1-26-17-10-20-9-16(21-17)23-6-7-24-15(18(23)25)8-13(22-24)11-27-14-4-2-12(19)3-5-14/h2-5,8-10H,6-7,11H2,1H3.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 369.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67975838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).