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

C16H12FN5O2 — CID 135972977

IUPAC2-[2-(2-fluoro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4ccc(O)cc4F)n3)cc21
InChIInChI=1S/C16H12FN5O2/c17-11-7-9(23)1-2-10(11)15-18-4-3-12(20-15)13-8-14-16(24)19-5-6-22(14)21-13/h1-4,7-8,23H,5-6H2,(H,19,24)
InChIKeyKUAMTEFEXKGRSI-UHFFFAOYSA-N
MW325.30 g/mol
LogP1.60
Rot. Bonds2

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

2-[2-(2-fluoro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 135972977) has the molecular formula C16H12FN5O2 and a molecular weight of 325.30 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-(2-fluoro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID135972977
Molecular FormulaC16H12FN5O2
Molecular Weight325.30 g/mol
Exact Mass325.10
IUPAC Name2-[2-(2-fluoro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4ccc(O)cc4F)n3)cc21
InChIInChI=1S/C16H12FN5O2/c17-11-7-9(23)1-2-10(11)15-18-4-3-12(20-15)13-8-14-16(24)19-5-6-22(14)21-13/h1-4,7-8,23H,5-6H2,(H,19,24)
InChIKeyKUAMTEFEXKGRSI-UHFFFAOYSA-N
XLogP1.60
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 51.60
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-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-(2-fluoro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 135972977) is 2-[2-(2-fluoro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-(2-fluoro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-(2-fluoro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(-c3ccnc(-c4ccc(O)cc4F)n3)cc21.
What is the InChIKey of 2-[2-(2-fluoro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KUAMTEFEXKGRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O2/c17-11-7-9(23)1-2-10(11)15-18-4-3-12(20-15)13-8-14-16(24)19-5-6-22(14)21-13/h1-4,7-8,23H,5-6H2,(H,19,24).
What are the key properties of 2-[2-(2-fluoro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-(2-fluoro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 325.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4-hydroxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 135972977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).