5-fluoro-3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine

C24H17FN4 — CID 24874607

IUPAC5-fluoro-3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine
SMILESNC1=NC(c2ccncc2)(c2cccc(-c3cccnc3)c2)c2cc(F)ccc21
InChIInChI=1S/C24H17FN4/c25-20-6-7-21-22(14-20)24(29-23(21)26,18-8-11-27-12-9-18)19-5-1-3-16(13-19)17-4-2-10-28-15-17/h1-15H,(H2,26,29)
InChIKeyXTSAZQMJLSIBNL-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.29
Rot. Bonds3

About 5-fluoro-3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine

5-fluoro-3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine (PubChem CID 24874607) has the molecular formula C24H17FN4 and a molecular weight of 380.43 g/mol. Its IUPAC name is 5-fluoro-3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine.

Molecular Properties

Compound Name5-fluoro-3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine
PubChem CID24874607
Molecular FormulaC24H17FN4
Molecular Weight380.43 g/mol
Exact Mass380.14
IUPAC Name5-fluoro-3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine
SMILESNC1=NC(c2ccncc2)(c2cccc(-c3cccnc3)c2)c2cc(F)ccc21
InChIInChI=1S/C24H17FN4/c25-20-6-7-21-22(14-20)24(29-23(21)26,18-8-11-27-12-9-18)19-5-1-3-16(13-19)17-4-2-10-28-15-17/h1-15H,(H2,26,29)
InChIKeyXTSAZQMJLSIBNL-UHFFFAOYSA-N
XLogP4.29
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine?
The IUPAC name of 5-fluoro-3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine (CID 24874607) is 5-fluoro-3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine.
What is the SMILES notation for 5-fluoro-3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine?
The canonical SMILES for 5-fluoro-3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine is NC1=NC(c2ccncc2)(c2cccc(-c3cccnc3)c2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine?
The InChIKey is XTSAZQMJLSIBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4/c25-20-6-7-21-22(14-20)24(29-23(21)26,18-8-11-27-12-9-18)19-5-1-3-16(13-19)17-4-2-10-28-15-17/h1-15H,(H2,26,29).
What are the key properties of 5-fluoro-3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine?
5-fluoro-3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine has a molecular weight of 380.43 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine is sourced from PubChem (CID 24874607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).