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

C13H11FN4O — CID 22423885

IUPAC5-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21
InChIInChI=1S/C13H11FN4O/c1-17-12-11(6-16-17)13(19)18(8-15-12)7-9-3-2-4-10(14)5-9/h2-6,8H,7H2,1H3
InChIKeyYHZUQALXLIFUQC-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.32
Rot. Bonds2

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

5-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 22423885) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID22423885
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name5-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21
InChIInChI=1S/C13H11FN4O/c1-17-12-11(6-16-17)13(19)18(8-15-12)7-9-3-2-4-10(14)5-9/h2-6,8H,7H2,1H3
InChIKeyYHZUQALXLIFUQC-UHFFFAOYSA-N
XLogP1.32
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 22423885) is 5-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YHZUQALXLIFUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-17-12-11(6-16-17)13(19)18(8-15-12)7-9-3-2-4-10(14)5-9/h2-6,8H,7H2,1H3.
What are the key properties of 5-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 258.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 22423885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).