1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

C18H12F2N4O — CID 20888514

IUPAC1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cc1cccc(F)c1
InChIInChI=1S/C18H12F2N4O/c19-13-4-6-15(7-5-13)24-17-16(9-22-24)18(25)23(11-21-17)10-12-2-1-3-14(20)8-12/h1-9,11H,10H2
InChIKeyRZGNTCGSVUZTOB-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.91
Rot. Bonds3

About 1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 20888514) has the molecular formula C18H12F2N4O and a molecular weight of 338.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID20888514
Molecular FormulaC18H12F2N4O
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cc1cccc(F)c1
InChIInChI=1S/C18H12F2N4O/c19-13-4-6-15(7-5-13)24-17-16(9-22-24)18(25)23(11-21-17)10-12-2-1-3-14(20)8-12/h1-9,11H,10H2
InChIKeyRZGNTCGSVUZTOB-UHFFFAOYSA-N
XLogP2.91
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 20888514) is 1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cc1cccc(F)c1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RZGNTCGSVUZTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O/c19-13-4-6-15(7-5-13)24-17-16(9-22-24)18(25)23(11-21-17)10-12-2-1-3-14(20)8-12/h1-9,11H,10H2.
What are the key properties of 1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 338.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 20888514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).