5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C21H13FN4O2 — CID 1068284

IUPAC5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nc(-c2ccco2)n1-c1ccc(F)cc1
InChIInChI=1S/C21H13FN4O2/c22-14-8-10-15(11-9-14)25-20(18-7-4-12-28-18)24-19-17(21(25)27)13-23-26(19)16-5-2-1-3-6-16/h1-13H
InChIKeyAXVREESNMGZZCX-UHFFFAOYSA-N
MW372.36 g/mol
LogP3.97
Rot. Bonds3

About 5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 1068284) has the molecular formula C21H13FN4O2 and a molecular weight of 372.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID1068284
Molecular FormulaC21H13FN4O2
Molecular Weight372.36 g/mol
Exact Mass372.10
IUPAC Name5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nc(-c2ccco2)n1-c1ccc(F)cc1
InChIInChI=1S/C21H13FN4O2/c22-14-8-10-15(11-9-14)25-20(18-7-4-12-28-18)24-19-17(21(25)27)13-23-26(19)16-5-2-1-3-6-16/h1-13H
InChIKeyAXVREESNMGZZCX-UHFFFAOYSA-N
XLogP3.97
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one
CID 20853923
6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1068283
5-(4-fluorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190733
5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 67281727
5-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190736
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2275304
1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090918
1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 3242334
5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 11562543
5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1347889
5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 4612081
5-(2-chloroethyl)-1-(4-fluorophenyl)-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 162720118

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 1068284) is 5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2nc(-c2ccco2)n1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AXVREESNMGZZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4O2/c22-14-8-10-15(11-9-14)25-20(18-7-4-12-28-18)24-19-17(21(25)27)13-23-26(19)16-5-2-1-3-6-16/h1-13H.
What are the key properties of 5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 372.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 1068284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).