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

C21H14N4O2 — CID 1347913

IUPAC6-(furan-2-yl)-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nc(-c2ccco2)n1-c1ccccc1
InChIInChI=1S/C21H14N4O2/c26-21-17-14-22-25(16-10-5-2-6-11-16)19(17)23-20(18-12-7-13-27-18)24(21)15-8-3-1-4-9-15/h1-14H
InChIKeyODPYXSLKKHJWGY-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.83
Rot. Bonds3

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

6-(furan-2-yl)-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 1347913) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 6-(furan-2-yl)-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(furan-2-yl)-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID1347913
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC Name6-(furan-2-yl)-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nc(-c2ccco2)n1-c1ccccc1
InChIInChI=1S/C21H14N4O2/c26-21-17-14-22-25(16-10-5-2-6-11-16)19(17)23-20(18-12-7-13-27-18)24(21)15-8-3-1-4-9-15/h1-14H
InChIKeyODPYXSLKKHJWGY-UHFFFAOYSA-N
XLogP3.83
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(furan-2-yl)-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one (CID 1347913) is 6-(furan-2-yl)-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(furan-2-yl)-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(furan-2-yl)-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2nc(-c2ccco2)n1-c1ccccc1.
What is the InChIKey of 6-(furan-2-yl)-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ODPYXSLKKHJWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c26-21-17-14-22-25(16-10-5-2-6-11-16)19(17)23-20(18-12-7-13-27-18)24(21)15-8-3-1-4-9-15/h1-14H.
What are the key properties of 6-(furan-2-yl)-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
6-(furan-2-yl)-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 354.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 1347913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).