1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole

C27H21FN2O — CID 68839150

IUPAC1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4F)c3)N=Cc3ccccc32)cc1C
InChIInChI=1S/C27H21FN2O/c1-18-15-22(12-13-25(18)31-2)27(24-11-4-3-7-20(24)17-30-27)21-9-5-8-19(16-21)23-10-6-14-29-26(23)28/h3-17H,1-2H3
InChIKeyIJNSNZOMEMXIHD-UHFFFAOYSA-N
MW408.48 g/mol
LogP5.93
Rot. Bonds4

About 1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole

1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole (PubChem CID 68839150) has the molecular formula C27H21FN2O and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole.

Molecular Properties

Compound Name1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole
PubChem CID68839150
Molecular FormulaC27H21FN2O
Molecular Weight408.48 g/mol
Exact Mass408.16
IUPAC Name1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4F)c3)N=Cc3ccccc32)cc1C
InChIInChI=1S/C27H21FN2O/c1-18-15-22(12-13-25(18)31-2)27(24-11-4-3-7-20(24)17-30-27)21-9-5-8-19(16-21)23-10-6-14-29-26(23)28/h3-17H,1-2H3
InChIKeyIJNSNZOMEMXIHD-UHFFFAOYSA-N
XLogP5.93
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.48
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzodioxol-5-yl)-1-[3-(2-fluoro-3-pyridinyl)phenyl]isoindole
CID 141197900
CID 161228017
CID 161228017
3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine
CID 24874692
3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-(4-methylsulfonylphenyl)isoindol-1-amine
CID 25154233
3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine
CID 59596275
5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 25119895
3-(4-methoxy-3-methylphenyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine;2,2,2-trifluoroacetic acid
CID 24875042
3-fluoro-5-[3-[2-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]phenyl]pyridine
CID 66847901
diethyl 5-(4-methoxy-3-methylphenyl)-4H-isoquinoline-3,3-dicarboxylate
CID 10363295
3-(3-bromophenyl)-3-(4-methoxy-3-methylphenyl)isoindol-1-amine;2,2,2-trifluoroacetic acid
CID 67273059
7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
CID 46206293
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole?
The IUPAC name of 1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole (CID 68839150) is 1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole.
What is the SMILES notation for 1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole?
The canonical SMILES for 1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole is COc1ccc(C2(c3cccc(-c4cccnc4F)c3)N=Cc3ccccc32)cc1C.
What is the InChIKey of 1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole?
The InChIKey is IJNSNZOMEMXIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2O/c1-18-15-22(12-13-25(18)31-2)27(24-11-4-3-7-20(24)17-30-27)21-9-5-8-19(16-21)23-10-6-14-29-26(23)28/h3-17H,1-2H3.
What are the key properties of 1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole?
1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole has a molecular weight of 408.48 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole is sourced from PubChem (CID 68839150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).