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

C18H16N4O2 — CID 67974497

IUPAC2-(phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCN1c1ccccn1
InChIInChI=1S/C18H16N4O2/c23-18-16-12-14(13-24-15-6-2-1-3-7-15)20-22(16)11-10-21(18)17-8-4-5-9-19-17/h1-9,12H,10-11,13H2
InChIKeyHZCGREABLMJKGL-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.52
Rot. Bonds4

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

2-(phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67974497) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67974497
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-(phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCN1c1ccccn1
InChIInChI=1S/C18H16N4O2/c23-18-16-12-14(13-24-15-6-2-1-3-7-15)20-22(16)11-10-21(18)17-8-4-5-9-19-17/h1-9,12H,10-11,13H2
InChIKeyHZCGREABLMJKGL-UHFFFAOYSA-N
XLogP2.52
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67974497) is 2-(phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(COc3ccccc3)nn2CCN1c1ccccn1.
What is the InChIKey of 2-(phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HZCGREABLMJKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-18-16-12-14(13-24-15-6-2-1-3-7-15)20-22(16)11-10-21(18)17-8-4-5-9-19-17/h1-9,12H,10-11,13H2.
What are the key properties of 2-(phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-(phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 320.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67974497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).