5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one

C23H17FN4O2 — CID 20853923

IUPAC5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1cccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C23H17FN4O2/c1-2-15-5-3-6-18(13-15)27-22(20-7-4-12-30-20)26-21-19(23(27)29)14-25-28(21)17-10-8-16(24)9-11-17/h3-14H,2H2,1H3
InChIKeyOXYYEZPNJUGRTD-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.53
Rot. Bonds4

About 5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one

5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 20853923) has the molecular formula C23H17FN4O2 and a molecular weight of 400.41 g/mol. Its IUPAC name is 5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID20853923
Molecular FormulaC23H17FN4O2
Molecular Weight400.41 g/mol
Exact Mass400.13
IUPAC Name5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1cccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C23H17FN4O2/c1-2-15-5-3-6-18(13-15)27-22(20-7-4-12-30-20)26-21-19(23(27)29)14-25-28(21)17-10-8-16(24)9-11-17/h3-14H,2H2,1H3
InChIKeyOXYYEZPNJUGRTD-UHFFFAOYSA-N
XLogP4.53
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one (CID 20853923) is 5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one is CCc1cccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of 5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OXYYEZPNJUGRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O2/c1-2-15-5-3-6-18(13-15)27-22(20-7-4-12-30-20)26-21-19(23(27)29)14-25-28(21)17-10-8-16(24)9-11-17/h3-14H,2H2,1H3.
What are the key properties of 5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one?
5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 400.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylphenyl)-1-(4-fluorophenyl)-6-(furan-2-yl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 20853923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).