5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one

C14H13FN4O2 — CID 7422946

IUPAC5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(CCO)c2ncn1Cc1ccccc1F
InChIInChI=1S/C14H13FN4O2/c15-12-4-2-1-3-10(12)8-18-9-16-13-11(14(18)21)7-17-19(13)5-6-20/h1-4,7,9,20H,5-6,8H2
InChIKeyRYMCLFZQGURLFO-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.77
Rot. Bonds4

About 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one

5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7422946) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7422946
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(CCO)c2ncn1Cc1ccccc1F
InChIInChI=1S/C14H13FN4O2/c15-12-4-2-1-3-10(12)8-18-9-16-13-11(14(18)21)7-17-19(13)5-6-20/h1-4,7,9,20H,5-6,8H2
InChIKeyRYMCLFZQGURLFO-UHFFFAOYSA-N
XLogP0.77
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 7422946) is 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(CCO)c2ncn1Cc1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RYMCLFZQGURLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c15-12-4-2-1-3-10(12)8-18-9-16-13-11(14(18)21)7-17-19(13)5-6-20/h1-4,7,9,20H,5-6,8H2.
What are the key properties of 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 288.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7422946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).