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

C23H18FN5O2 — CID 59722965

IUPAC2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4ccc(OCc5ccccc5F)cc4)n3)cc21
InChIInChI=1S/C23H18FN5O2/c24-18-4-2-1-3-16(18)14-31-17-7-5-15(6-8-17)22-25-10-9-19(27-22)20-13-21-23(30)26-11-12-29(21)28-20/h1-10,13H,11-12,14H2,(H,26,30)
InChIKeyZTADSJQVPWBARJ-UHFFFAOYSA-N
MW415.43 g/mol
LogP3.47
Rot. Bonds5

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

2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59722965) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is 2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59722965
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4ccc(OCc5ccccc5F)cc4)n3)cc21
InChIInChI=1S/C23H18FN5O2/c24-18-4-2-1-3-16(18)14-31-17-7-5-15(6-8-17)22-25-10-9-19(27-22)20-13-21-23(30)26-11-12-29(21)28-20/h1-10,13H,11-12,14H2,(H,26,30)
InChIKeyZTADSJQVPWBARJ-UHFFFAOYSA-N
XLogP3.47
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59722965) is 2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(-c3ccnc(-c4ccc(OCc5ccccc5F)cc4)n3)cc21.
What is the InChIKey of 2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ZTADSJQVPWBARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c24-18-4-2-1-3-16(18)14-31-17-7-5-15(6-8-17)22-25-10-9-19(27-22)20-13-21-23(30)26-11-12-29(21)28-20/h1-10,13H,11-12,14H2,(H,26,30).
What are the key properties of 2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 415.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59722965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).