2-[2-[2-fluoro-5-(hydroxymethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C17H14FN5O2 — CID 59723027

IUPAC2-[2-[2-fluoro-5-(hydroxymethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4cc(CO)ccc4F)n3)cc21
InChIInChI=1S/C17H14FN5O2/c18-12-2-1-10(9-24)7-11(12)16-19-4-3-13(21-16)14-8-15-17(25)20-5-6-23(15)22-14/h1-4,7-8,24H,5-6,9H2,(H,20,25)
InChIKeyBKRDMRBARHDING-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.38
Rot. Bonds3

About 2-[2-[2-fluoro-5-(hydroxymethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-[2-fluoro-5-(hydroxymethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59723027) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 2-[2-[2-fluoro-5-(hydroxymethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-[2-fluoro-5-(hydroxymethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59723027
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name2-[2-[2-fluoro-5-(hydroxymethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4cc(CO)ccc4F)n3)cc21
InChIInChI=1S/C17H14FN5O2/c18-12-2-1-10(9-24)7-11(12)16-19-4-3-13(21-16)14-8-15-17(25)20-5-6-23(15)22-14/h1-4,7-8,24H,5-6,9H2,(H,20,25)
InChIKeyBKRDMRBARHDING-UHFFFAOYSA-N
XLogP1.38
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-fluoro-5-(hydroxymethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-[2-fluoro-5-(hydroxymethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59723027) is 2-[2-[2-fluoro-5-(hydroxymethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-[2-fluoro-5-(hydroxymethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-[2-fluoro-5-(hydroxymethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(-c3ccnc(-c4cc(CO)ccc4F)n3)cc21.
What is the InChIKey of 2-[2-[2-fluoro-5-(hydroxymethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is BKRDMRBARHDING-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c18-12-2-1-10(9-24)7-11(12)16-19-4-3-13(21-16)14-8-15-17(25)20-5-6-23(15)22-14/h1-4,7-8,24H,5-6,9H2,(H,20,25).
What are the key properties of 2-[2-[2-fluoro-5-(hydroxymethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-[2-fluoro-5-(hydroxymethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 339.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-fluoro-5-(hydroxymethyl)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59723027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).