5-fluoro-4-[3-(2-phenylethenyl)-1H-indazol-5-yl]isoquinoline

C24H16FN3 — CID 69470491

IUPAC5-fluoro-4-[3-(2-phenylethenyl)-1H-indazol-5-yl]isoquinoline
SMILESFc1cccc2cncc(-c3ccc4[nH]nc(C=Cc5ccccc5)c4c3)c12
InChIInChI=1S/C24H16FN3/c25-21-8-4-7-18-14-26-15-20(24(18)21)17-10-12-23-19(13-17)22(27-28-23)11-9-16-5-2-1-3-6-16/h1-15H,(H,27,28)
InChIKeyAHASJKGISUPUOZ-UHFFFAOYSA-N
MW365.41 g/mol
LogP6.09
Rot. Bonds3

About 5-fluoro-4-[3-(2-phenylethenyl)-1H-indazol-5-yl]isoquinoline

5-fluoro-4-[3-(2-phenylethenyl)-1H-indazol-5-yl]isoquinoline (PubChem CID 69470491) has the molecular formula C24H16FN3 and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-fluoro-4-[3-(2-phenylethenyl)-1H-indazol-5-yl]isoquinoline.

Molecular Properties

Compound Name5-fluoro-4-[3-(2-phenylethenyl)-1H-indazol-5-yl]isoquinoline
PubChem CID69470491
Molecular FormulaC24H16FN3
Molecular Weight365.41 g/mol
Exact Mass365.13
IUPAC Name5-fluoro-4-[3-(2-phenylethenyl)-1H-indazol-5-yl]isoquinoline
SMILESFc1cccc2cncc(-c3ccc4[nH]nc(C=Cc5ccccc5)c4c3)c12
InChIInChI=1S/C24H16FN3/c25-21-8-4-7-18-14-26-15-20(24(18)21)17-10-12-23-19(13-17)22(27-28-23)11-9-16-5-2-1-3-6-16/h1-15H,(H,27,28)
InChIKeyAHASJKGISUPUOZ-UHFFFAOYSA-N
XLogP6.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.41
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[3-(2-phenylethenyl)-1H-indazol-5-yl]isoquinoline?
The IUPAC name of 5-fluoro-4-[3-(2-phenylethenyl)-1H-indazol-5-yl]isoquinoline (CID 69470491) is 5-fluoro-4-[3-(2-phenylethenyl)-1H-indazol-5-yl]isoquinoline.
What is the SMILES notation for 5-fluoro-4-[3-(2-phenylethenyl)-1H-indazol-5-yl]isoquinoline?
The canonical SMILES for 5-fluoro-4-[3-(2-phenylethenyl)-1H-indazol-5-yl]isoquinoline is Fc1cccc2cncc(-c3ccc4[nH]nc(C=Cc5ccccc5)c4c3)c12.
What is the InChIKey of 5-fluoro-4-[3-(2-phenylethenyl)-1H-indazol-5-yl]isoquinoline?
The InChIKey is AHASJKGISUPUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3/c25-21-8-4-7-18-14-26-15-20(24(18)21)17-10-12-23-19(13-17)22(27-28-23)11-9-16-5-2-1-3-6-16/h1-15H,(H,27,28).
What are the key properties of 5-fluoro-4-[3-(2-phenylethenyl)-1H-indazol-5-yl]isoquinoline?
5-fluoro-4-[3-(2-phenylethenyl)-1H-indazol-5-yl]isoquinoline has a molecular weight of 365.41 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[3-(2-phenylethenyl)-1H-indazol-5-yl]isoquinoline is sourced from PubChem (CID 69470491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).