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

C28H19FN4S — CID 69256048

IUPAC1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline
SMILESCSc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cc(-c2cccnc2)c2cnccc23)cc1
InChIInChI=1S/C28H19FN4S/c1-34-22-10-4-18(5-11-22)27-25-15-24(19-3-2-13-30-16-19)26-17-31-14-12-23(26)28(25)33(32-27)21-8-6-20(29)7-9-21/h2-17H,1H3
InChIKeyVERKAEFPRUMNND-UHFFFAOYSA-N
MW462.55 g/mol
LogP7.16
Rot. Bonds4

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

1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline (PubChem CID 69256048) has the molecular formula C28H19FN4S and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline
PubChem CID69256048
Molecular FormulaC28H19FN4S
Molecular Weight462.55 g/mol
Exact Mass462.13
IUPAC Name1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline
SMILESCSc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cc(-c2cccnc2)c2cnccc23)cc1
InChIInChI=1S/C28H19FN4S/c1-34-22-10-4-18(5-11-22)27-25-15-24(19-3-2-13-30-16-19)26-17-31-14-12-23(26)28(25)33(32-27)21-8-6-20(29)7-9-21/h2-17H,1H3
InChIKeyVERKAEFPRUMNND-UHFFFAOYSA-N
XLogP7.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline (CID 69256048) is 1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline is CSc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cc(-c2cccnc2)c2cnccc23)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline?
The InChIKey is VERKAEFPRUMNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN4S/c1-34-22-10-4-18(5-11-22)27-25-15-24(19-3-2-13-30-16-19)26-17-31-14-12-23(26)28(25)33(32-27)21-8-6-20(29)7-9-21/h2-17H,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline?
1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline has a molecular weight of 462.55 g/mol, XLogP of 7.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline is sourced from PubChem (CID 69256048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).