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

C19H13FN4O3 — CID 8540117

IUPACmethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate
SMILESCOC(=O)c1ccc(Oc2ncnc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H13FN4O3/c1-26-19(25)12-2-8-15(9-3-12)27-18-16-10-23-24(17(16)21-11-22-18)14-6-4-13(20)5-7-14/h2-11H,1H3
InChIKeyOUGAREWNHWNVPH-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.53
Rot. Bonds4

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

methyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate (PubChem CID 8540117) has the molecular formula C19H13FN4O3 and a molecular weight of 364.34 g/mol. Its IUPAC name is methyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate
PubChem CID8540117
Molecular FormulaC19H13FN4O3
Molecular Weight364.34 g/mol
Exact Mass364.10
IUPAC Namemethyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate
SMILESCOC(=O)c1ccc(Oc2ncnc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H13FN4O3/c1-26-19(25)12-2-8-15(9-3-12)27-18-16-10-23-24(17(16)21-11-22-18)14-6-4-13(20)5-7-14/h2-11H,1H3
InChIKeyOUGAREWNHWNVPH-UHFFFAOYSA-N
XLogP3.53
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate?
The IUPAC name of methyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate (CID 8540117) is methyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate.
What is the SMILES notation for methyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate?
The canonical SMILES for methyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate is COC(=O)c1ccc(Oc2ncnc3c2cnn3-c2ccc(F)cc2)cc1.
What is the InChIKey of methyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate?
The InChIKey is OUGAREWNHWNVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O3/c1-26-19(25)12-2-8-15(9-3-12)27-18-16-10-23-24(17(16)21-11-22-18)14-6-4-13(20)5-7-14/h2-11H,1H3.
What are the key properties of methyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate?
methyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate has a molecular weight of 364.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxybenzoate is sourced from PubChem (CID 8540117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).