ethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate

C20H15FN4O3 — CID 8540122

IUPACethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate
SMILESCCOC(=O)c1ccc(Oc2ncnc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H15FN4O3/c1-2-27-20(26)13-3-9-16(10-4-13)28-19-17-11-24-25(18(17)22-12-23-19)15-7-5-14(21)6-8-15/h3-12H,2H2,1H3
InChIKeyROUSCABMVUMYHZ-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.92
Rot. Bonds5

About ethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate

ethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate (PubChem CID 8540122) has the molecular formula C20H15FN4O3 and a molecular weight of 378.36 g/mol. Its IUPAC name is ethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate.

Molecular Properties

Compound Nameethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate
PubChem CID8540122
Molecular FormulaC20H15FN4O3
Molecular Weight378.36 g/mol
Exact Mass378.11
IUPAC Nameethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate
SMILESCCOC(=O)c1ccc(Oc2ncnc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H15FN4O3/c1-2-27-20(26)13-3-9-16(10-4-13)28-19-17-11-24-25(18(17)22-12-23-19)15-7-5-14(21)6-8-15/h3-12H,2H2,1H3
InChIKeyROUSCABMVUMYHZ-UHFFFAOYSA-N
XLogP3.92
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate?
The IUPAC name of ethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate (CID 8540122) is ethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate.
What is the SMILES notation for ethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate?
The canonical SMILES for ethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate is CCOC(=O)c1ccc(Oc2ncnc3c2cnn3-c2ccc(F)cc2)cc1.
What is the InChIKey of ethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate?
The InChIKey is ROUSCABMVUMYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3/c1-2-27-20(26)13-3-9-16(10-4-13)28-19-17-11-24-25(18(17)22-12-23-19)15-7-5-14(21)6-8-15/h3-12H,2H2,1H3.
What are the key properties of ethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate?
ethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate has a molecular weight of 378.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate is sourced from PubChem (CID 8540122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).