5-(4-fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C18H15FN4O2 — CID 67976002

IUPAC5-(4-fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3ccncc3)nn2CCN1c1ccc(F)cc1
InChIInChI=1S/C18H15FN4O2/c19-13-1-3-15(4-2-13)22-9-10-23-17(18(22)24)11-14(21-23)12-25-16-5-7-20-8-6-16/h1-8,11H,9-10,12H2
InChIKeyKCBUZIFOTQBRKN-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.66
Rot. Bonds4

About 5-(4-fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(4-fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67976002) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67976002
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name5-(4-fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3ccncc3)nn2CCN1c1ccc(F)cc1
InChIInChI=1S/C18H15FN4O2/c19-13-1-3-15(4-2-13)22-9-10-23-17(18(22)24)11-14(21-23)12-25-16-5-7-20-8-6-16/h1-8,11H,9-10,12H2
InChIKeyKCBUZIFOTQBRKN-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

VU0650786
CID 122190433
N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 137635364
5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbaldehyde
CID 137644833
N-[4-[4-[2-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 137649435
5-(2,4-difluoro-phenyl)-2-phenoxymethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 57411802
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-(2-Fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973795
5-(3,4-Difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973817
5-(4-Methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974041
2-[(4-Fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974346
5-(5-Methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974348

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67976002) is 5-(4-fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(COc3ccncc3)nn2CCN1c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KCBUZIFOTQBRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-13-1-3-15(4-2-13)22-9-10-23-17(18(22)24)11-14(21-23)12-25-16-5-7-20-8-6-16/h1-8,11H,9-10,12H2.
What are the key properties of 5-(4-fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(4-fluorophenyl)-2-(pyridin-4-yloxymethyl)-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-(4-fluorophenyl)-2-(pyridin-4-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67976002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).