2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H18FN5O3 — CID 123684449

IUPAC2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1nccnc1CN1CCn2nc(COc3cccc(F)c3)cc2C1=O
InChIInChI=1S/C19H18FN5O3/c1-27-18-16(21-5-6-22-18)11-24-7-8-25-17(19(24)26)10-14(23-25)12-28-15-4-2-3-13(20)9-15/h2-6,9-10H,7-8,11-12H2,1H3
InChIKeyKKODGBIVCZSTKA-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.06
Rot. Bonds6

About 2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 123684449) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID123684449
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1nccnc1CN1CCn2nc(COc3cccc(F)c3)cc2C1=O
InChIInChI=1S/C19H18FN5O3/c1-27-18-16(21-5-6-22-18)11-24-7-8-25-17(19(24)26)10-14(23-25)12-28-15-4-2-3-13(20)9-15/h2-6,9-10H,7-8,11-12H2,1H3
InChIKeyKKODGBIVCZSTKA-UHFFFAOYSA-N
XLogP2.06
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
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-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 123684449) is 2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1nccnc1CN1CCn2nc(COc3cccc(F)c3)cc2C1=O.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KKODGBIVCZSTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-27-18-16(21-5-6-22-18)11-24-7-8-25-17(19(24)26)10-14(23-25)12-28-15-4-2-3-13(20)9-15/h2-6,9-10H,7-8,11-12H2,1H3.
What are the key properties of 2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 383.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 123684449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).