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

C20H19FN4O2 — CID 72700569

IUPAC5-[(5-fluoro-4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(CN2CCn3nc(COc4ccccc4)cc3C2=O)ncc1F
InChIInChI=1S/C20H19FN4O2/c1-14-9-15(22-11-18(14)21)12-24-7-8-25-19(20(24)26)10-16(23-25)13-27-17-5-3-2-4-6-17/h2-6,9-11H,7-8,12-13H2,1H3
InChIKeyFGWXKHUJFUIMPU-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.96
Rot. Bonds5

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

5-[(5-fluoro-4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 72700569) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-[(5-fluoro-4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(5-fluoro-4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID72700569
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name5-[(5-fluoro-4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc(CN2CCn3nc(COc4ccccc4)cc3C2=O)ncc1F
InChIInChI=1S/C20H19FN4O2/c1-14-9-15(22-11-18(14)21)12-24-7-8-25-19(20(24)26)10-16(23-25)13-27-17-5-3-2-4-6-17/h2-6,9-11H,7-8,12-13H2,1H3
InChIKeyFGWXKHUJFUIMPU-UHFFFAOYSA-N
XLogP2.96
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(5-fluoro-4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 72700569) is 5-[(5-fluoro-4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(5-fluoro-4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(5-fluoro-4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cc(CN2CCn3nc(COc4ccccc4)cc3C2=O)ncc1F.
What is the InChIKey of 5-[(5-fluoro-4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is FGWXKHUJFUIMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-14-9-15(22-11-18(14)21)12-24-7-8-25-19(20(24)26)10-16(23-25)13-27-17-5-3-2-4-6-17/h2-6,9-11H,7-8,12-13H2,1H3.
What are the key properties of 5-[(5-fluoro-4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[(5-fluoro-4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 366.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-4-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 72700569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).