4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole

C23H15FN4 — CID 141269207

IUPAC4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole
SMILESFc1cccc2c1C=NC2(c1ccncc1)c1cccc(-c2cncnc2)c1
InChIInChI=1S/C23H15FN4/c24-22-6-2-5-21-20(22)14-28-23(21,18-7-9-25-10-8-18)19-4-1-3-16(11-19)17-12-26-15-27-13-17/h1-15H
InChIKeyODGFXNFYEXVPFF-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.40
Rot. Bonds3

About 4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole

4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole (PubChem CID 141269207) has the molecular formula C23H15FN4 and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole.

Molecular Properties

Compound Name4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole
PubChem CID141269207
Molecular FormulaC23H15FN4
Molecular Weight366.40 g/mol
Exact Mass366.13
IUPAC Name4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole
SMILESFc1cccc2c1C=NC2(c1ccncc1)c1cccc(-c2cncnc2)c1
InChIInChI=1S/C23H15FN4/c24-22-6-2-5-21-20(22)14-28-23(21,18-7-9-25-10-8-18)19-4-1-3-16(11-19)17-12-26-15-27-13-17/h1-15H
InChIKeyODGFXNFYEXVPFF-UHFFFAOYSA-N
XLogP4.40
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole?
The IUPAC name of 4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole (CID 141269207) is 4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole.
What is the SMILES notation for 4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole?
The canonical SMILES for 4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole is Fc1cccc2c1C=NC2(c1ccncc1)c1cccc(-c2cncnc2)c1.
What is the InChIKey of 4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole?
The InChIKey is ODGFXNFYEXVPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4/c24-22-6-2-5-21-20(22)14-28-23(21,18-7-9-25-10-8-18)19-4-1-3-16(11-19)17-12-26-15-27-13-17/h1-15H.
What are the key properties of 4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole?
4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole has a molecular weight of 366.40 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-pyridin-4-yl-1-(3-pyrimidin-5-ylphenyl)isoindole is sourced from PubChem (CID 141269207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).