5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C18H15FN4O2 — CID 67975977

IUPAC5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCN1c1cncc(F)c1
InChIInChI=1S/C18H15FN4O2/c19-13-8-15(11-20-10-13)22-6-7-23-17(18(22)24)9-14(21-23)12-25-16-4-2-1-3-5-16/h1-5,8-11H,6-7,12H2
InChIKeyBODKEQPMZYYGIM-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.66
Rot. Bonds4

About 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67975977) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67975977
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCN1c1cncc(F)c1
InChIInChI=1S/C18H15FN4O2/c19-13-8-15(11-20-10-13)22-6-7-23-17(18(22)24)9-14(21-23)12-25-16-4-2-1-3-5-16/h1-5,8-11H,6-7,12H2
InChIKeyBODKEQPMZYYGIM-UHFFFAOYSA-N
XLogP2.66
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis(5-(5-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(6-methyl-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 161236114
5-(6-methylpyrazin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973649
5-(5-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973635
5-(6-ethyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67975619
2-[(4-fluorophenoxy)methyl]-5-(6-methoxypyrazin-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67975838
5-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123625077
5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67976051
5-(3-methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973971
5-(5-methoxypyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974452
5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974517
5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53247472
2-[(6-chloropyridazin-4-yl)oxymethyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 88537885

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67975977) is 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(COc3ccccc3)nn2CCN1c1cncc(F)c1.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is BODKEQPMZYYGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-13-8-15(11-20-10-13)22-6-7-23-17(18(22)24)9-14(21-23)12-25-16-4-2-1-3-5-16/h1-5,8-11H,6-7,12H2.
What are the key properties of 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 338.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67975977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).