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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Related Compounds

5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 25119893
3,3-difluoro-8-pyridin-4-yl-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 24871744
5-(3-pyrimidin-5-ylphenyl)pyrimidine
CID 101127667
(E)-but-2-enedioic acid;(3S)-3-[2-(difluoromethyl)-4-pyridinyl]-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 118753440
2-amino-4-phenyl-4-(3-pyrimidin-5-ylphenyl)-1H-imidazol-5-one
CID 143064638
5-[3-amino-4-fluoro-1-(3-pyrimidin-5-ylphenyl)isoindol-1-yl]-2-methoxybenzonitrile
CID 46202742
3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 24874780
5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine
CID 165097309
5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 164785648
7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
CID 46206293
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 146622949
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 59596313

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).