2-[2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C17H14FN5O2 — CID 59723020

IUPAC2-[2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1F
InChIInChI=1S/C17H14FN5O2/c1-25-15-8-10(2-3-11(15)18)16-19-5-4-12(21-16)13-9-14-17(24)20-6-7-23(14)22-13/h2-5,8-9H,6-7H2,1H3,(H,20,24)
InChIKeyHBDJMMCJZILCGJ-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.90
Rot. Bonds3

About 2-[2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59723020) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59723020
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name2-[2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1F
InChIInChI=1S/C17H14FN5O2/c1-25-15-8-10(2-3-11(15)18)16-19-5-4-12(21-16)13-9-14-17(24)20-6-7-23(14)22-13/h2-5,8-9H,6-7H2,1H3,(H,20,24)
InChIKeyHBDJMMCJZILCGJ-UHFFFAOYSA-N
XLogP1.90
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59723020) is 2-[2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1F.
What is the InChIKey of 2-[2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HBDJMMCJZILCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c1-25-15-8-10(2-3-11(15)18)16-19-5-4-12(21-16)13-9-14-17(24)20-6-7-23(14)22-13/h2-5,8-9H,6-7H2,1H3,(H,20,24).
What are the key properties of 2-[2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-(4-fluoro-3-methoxyphenyl)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 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59723020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).