4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine

C20H17FN4O — CID 16733985

IUPAC4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine
SMILESFc1ccc(-n2ncc3cc(N4CCOCC4)c4cnccc4c32)cc1
InChIInChI=1S/C20H17FN4O/c21-15-1-3-16(4-2-15)25-20-14(12-23-25)11-19(24-7-9-26-10-8-24)18-13-22-6-5-17(18)20/h1-6,11-13H,7-10H2
InChIKeyCEWVWXPTBJVAEP-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.55
Rot. Bonds2

About 4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine

4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine (PubChem CID 16733985) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine
PubChem CID16733985
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine
SMILESFc1ccc(-n2ncc3cc(N4CCOCC4)c4cnccc4c32)cc1
InChIInChI=1S/C20H17FN4O/c21-15-1-3-16(4-2-15)25-20-14(12-23-25)11-19(24-7-9-26-10-8-24)18-13-22-6-5-17(18)20/h1-6,11-13H,7-10H2
InChIKeyCEWVWXPTBJVAEP-UHFFFAOYSA-N
XLogP3.55
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine?
The IUPAC name of 4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine (CID 16733985) is 4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine.
What is the SMILES notation for 4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine?
The canonical SMILES for 4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine is Fc1ccc(-n2ncc3cc(N4CCOCC4)c4cnccc4c32)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine?
The InChIKey is CEWVWXPTBJVAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-15-1-3-16(4-2-15)25-20-14(12-23-25)11-19(24-7-9-26-10-8-24)18-13-22-6-5-17(18)20/h1-6,11-13H,7-10H2.
What are the key properties of 4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine?
4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine has a molecular weight of 348.38 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]morpholine is sourced from PubChem (CID 16733985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).