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

C16H17FN4O — CID 3238117

IUPAC1-(4-fluorophenyl)-5-(3-methylbutyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H17FN4O/c1-11(2)7-8-20-10-18-15-14(16(20)22)9-19-21(15)13-5-3-12(17)4-6-13/h3-6,9-11H,7-8H2,1-2H3
InChIKeyRCYVDUSHDDWZOH-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.77
Rot. Bonds4

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

1-(4-fluorophenyl)-5-(3-methylbutyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3238117) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(3-methylbutyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(3-methylbutyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3238117
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name1-(4-fluorophenyl)-5-(3-methylbutyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H17FN4O/c1-11(2)7-8-20-10-18-15-14(16(20)22)9-19-21(15)13-5-3-12(17)4-6-13/h3-6,9-11H,7-8H2,1-2H3
InChIKeyRCYVDUSHDDWZOH-UHFFFAOYSA-N
XLogP2.77
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.77
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-methylbutyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-(3-methylbutyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 3238117) is 1-(4-fluorophenyl)-5-(3-methylbutyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(3-methylbutyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-(3-methylbutyl)pyrazolo[5,4-d]pyrimidin-4-one is CC(C)CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-5-(3-methylbutyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RCYVDUSHDDWZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-11(2)7-8-20-10-18-15-14(16(20)22)9-19-21(15)13-5-3-12(17)4-6-13/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-5-(3-methylbutyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-(3-methylbutyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 300.34 g/mol, XLogP of 2.77, 4 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-methylbutyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3238117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).