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

C18H14F2N4O2 — CID 70654545

IUPAC2-[(3-fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3cccc(F)c3)nn2CCN1c1ccc(F)cn1
InChIInChI=1S/C18H14F2N4O2/c19-12-2-1-3-15(8-12)26-11-14-9-16-18(25)23(6-7-24(16)22-14)17-5-4-13(20)10-21-17/h1-5,8-10H,6-7,11H2
InChIKeyKBHJJFHSYZKVLG-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.80
Rot. Bonds4

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

2-[(3-fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 70654545) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID70654545
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name2-[(3-fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3cccc(F)c3)nn2CCN1c1ccc(F)cn1
InChIInChI=1S/C18H14F2N4O2/c19-12-2-1-3-15(8-12)26-11-14-9-16-18(25)23(6-7-24(16)22-14)17-5-4-13(20)10-21-17/h1-5,8-10H,6-7,11H2
InChIKeyKBHJJFHSYZKVLG-UHFFFAOYSA-N
XLogP2.80
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-Methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973635
5-(4-fluorophenyl)-2-(pyridin-2-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 67973779
5-(5-Methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974348
5-(5-fluoropyridin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 67974411
5-(5-Fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974471
2-(Phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974497
5-(4-Fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67976002
(7R)-5-(4-fluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190336
(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190337
(7R)-5-(2-fluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190389
(7R)-5-(3-fluorophenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190390
(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(2-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190394

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 70654545) is 2-[(3-fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(COc3cccc(F)c3)nn2CCN1c1ccc(F)cn1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KBHJJFHSYZKVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c19-12-2-1-3-15(8-12)26-11-14-9-16-18(25)23(6-7-24(16)22-14)17-5-4-13(20)10-21-17/h1-5,8-10H,6-7,11H2.
What are the key properties of 2-[(3-fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[(3-fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 356.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 70654545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).