4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine

C18H13FN4O — CID 8539514

IUPAC4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(Oc4ccc(F)cc4)ncnc32)cc1
InChIInChI=1S/C18H13FN4O/c1-12-2-6-14(7-3-12)23-17-16(10-22-23)18(21-11-20-17)24-15-8-4-13(19)5-9-15/h2-11H,1H3
InChIKeyMKRZUTMERRIDQD-UHFFFAOYSA-N
MW320.33 g/mol
LogP4.06
Rot. Bonds3

About 4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine

4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 8539514) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
PubChem CID8539514
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(Oc4ccc(F)cc4)ncnc32)cc1
InChIInChI=1S/C18H13FN4O/c1-12-2-6-14(7-3-12)23-17-16(10-22-23)18(21-11-20-17)24-15-8-4-13(19)5-9-15/h2-11H,1H3
InChIKeyMKRZUTMERRIDQD-UHFFFAOYSA-N
XLogP4.06
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine (CID 8539514) is 4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine is Cc1ccc(-n2ncc3c(Oc4ccc(F)cc4)ncnc32)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is MKRZUTMERRIDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-12-2-6-14(7-3-12)23-17-16(10-22-23)18(21-11-20-17)24-15-8-4-13(19)5-9-15/h2-11H,1H3.
What are the key properties of 4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine?
4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 320.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 8539514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).