5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinoline

C22H13ClFN3 — CID 16734031

IUPAC5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinoline
SMILESFc1ccc(-n2ncc3cc(-c4ccccc4Cl)c4cnccc4c32)cc1
InChIInChI=1S/C22H13ClFN3/c23-21-4-2-1-3-17(21)19-11-14-12-26-27(16-7-5-15(24)6-8-16)22(14)18-9-10-25-13-20(18)19/h1-13H
InChIKeyXPUSTZSIIZKNOQ-UHFFFAOYSA-N
MW373.82 g/mol
LogP6.03
Rot. Bonds2

About 5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinoline

5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinoline (PubChem CID 16734031) has the molecular formula C22H13ClFN3 and a molecular weight of 373.82 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinoline.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinoline
PubChem CID16734031
Molecular FormulaC22H13ClFN3
Molecular Weight373.82 g/mol
Exact Mass373.08
IUPAC Name5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinoline
SMILESFc1ccc(-n2ncc3cc(-c4ccccc4Cl)c4cnccc4c32)cc1
InChIInChI=1S/C22H13ClFN3/c23-21-4-2-1-3-17(21)19-11-14-12-26-27(16-7-5-15(24)6-8-16)22(14)18-9-10-25-13-20(18)19/h1-13H
InChIKeyXPUSTZSIIZKNOQ-UHFFFAOYSA-N
XLogP6.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.82
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinoline?
The IUPAC name of 5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinoline (CID 16734031) is 5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinoline.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinoline?
The canonical SMILES for 5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinoline is Fc1ccc(-n2ncc3cc(-c4ccccc4Cl)c4cnccc4c32)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinoline?
The InChIKey is XPUSTZSIIZKNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN3/c23-21-4-2-1-3-17(21)19-11-14-12-26-27(16-7-5-15(24)6-8-16)22(14)18-9-10-25-13-20(18)19/h1-13H.
What are the key properties of 5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinoline?
5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinoline has a molecular weight of 373.82 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinoline is sourced from PubChem (CID 16734031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).