[5-(5-fluoro-2-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl acetate

C14H13FN4O3 — CID 67975679

IUPAC[5-(5-fluoro-2-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl acetate
SMILESCC(=O)OCc1cc2n(n1)CCN(c1ccc(F)cn1)C2=O
InChIInChI=1S/C14H13FN4O3/c1-9(20)22-8-11-6-12-14(21)18(4-5-19(12)17-11)13-3-2-10(15)7-16-13/h2-3,6-7H,4-5,8H2,1H3
InChIKeyUWNACCMEYHFOJD-UHFFFAOYSA-N
MW304.28 g/mol
LogP1.14
Rot. Bonds3

About [5-(5-fluoro-2-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl acetate

[5-(5-fluoro-2-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl acetate (PubChem CID 67975679) has the molecular formula C14H13FN4O3 and a molecular weight of 304.28 g/mol. Its IUPAC name is [5-(5-fluoro-2-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-(5-fluoro-2-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl acetate
PubChem CID67975679
Molecular FormulaC14H13FN4O3
Molecular Weight304.28 g/mol
Exact Mass304.10
IUPAC Name[5-(5-fluoro-2-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl acetate
SMILESCC(=O)OCc1cc2n(n1)CCN(c1ccc(F)cn1)C2=O
InChIInChI=1S/C14H13FN4O3/c1-9(20)22-8-11-6-12-14(21)18(4-5-19(12)17-11)13-3-2-10(15)7-16-13/h2-3,6-7H,4-5,8H2,1H3
InChIKeyUWNACCMEYHFOJD-UHFFFAOYSA-N
XLogP1.14
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-2-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl acetate?
The IUPAC name of [5-(5-fluoro-2-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl acetate (CID 67975679) is [5-(5-fluoro-2-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl acetate.
What is the SMILES notation for [5-(5-fluoro-2-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl acetate?
The canonical SMILES for [5-(5-fluoro-2-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl acetate is CC(=O)OCc1cc2n(n1)CCN(c1ccc(F)cn1)C2=O.
What is the InChIKey of [5-(5-fluoro-2-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl acetate?
The InChIKey is UWNACCMEYHFOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O3/c1-9(20)22-8-11-6-12-14(21)18(4-5-19(12)17-11)13-3-2-10(15)7-16-13/h2-3,6-7H,4-5,8H2,1H3.
What are the key properties of [5-(5-fluoro-2-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl acetate?
[5-(5-fluoro-2-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl acetate has a molecular weight of 304.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-2-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl acetate is sourced from PubChem (CID 67975679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).