1-(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-f]isoquinoline

C21H13FN4 — CID 16734029

IUPAC1-(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-f]isoquinoline
SMILESFc1ccc(-n2ncc3cc(-c4ccncc4)c4cnccc4c32)cc1
InChIInChI=1S/C21H13FN4/c22-16-1-3-17(4-2-16)26-21-15(12-25-26)11-19(14-5-8-23-9-6-14)20-13-24-10-7-18(20)21/h1-13H
InChIKeyKIJISWUWGVCYLL-UHFFFAOYSA-N
MW340.36 g/mol
LogP4.77
Rot. Bonds2

About 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-f]isoquinoline

1-(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-f]isoquinoline (PubChem CID 16734029) has the molecular formula C21H13FN4 and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-f]isoquinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-f]isoquinoline
PubChem CID16734029
Molecular FormulaC21H13FN4
Molecular Weight340.36 g/mol
Exact Mass340.11
IUPAC Name1-(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-f]isoquinoline
SMILESFc1ccc(-n2ncc3cc(-c4ccncc4)c4cnccc4c32)cc1
InChIInChI=1S/C21H13FN4/c22-16-1-3-17(4-2-16)26-21-15(12-25-26)11-19(14-5-8-23-9-6-14)20-13-24-10-7-18(20)21/h1-13H
InChIKeyKIJISWUWGVCYLL-UHFFFAOYSA-N
XLogP4.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-f]isoquinoline?
The IUPAC name of 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-f]isoquinoline (CID 16734029) is 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-f]isoquinoline.
What is the SMILES notation for 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-f]isoquinoline?
The canonical SMILES for 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-f]isoquinoline is Fc1ccc(-n2ncc3cc(-c4ccncc4)c4cnccc4c32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-f]isoquinoline?
The InChIKey is KIJISWUWGVCYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4/c22-16-1-3-17(4-2-16)26-21-15(12-25-26)11-19(14-5-8-23-9-6-14)20-13-24-10-7-18(20)21/h1-13H.
What are the key properties of 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-f]isoquinoline?
1-(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-f]isoquinoline has a molecular weight of 340.36 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-f]isoquinoline is sourced from PubChem (CID 16734029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).