7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine

C26H19F2N3O — CID 46206293

IUPAC7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
SMILESCOc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)c4c(F)cccc43)c2)c1F
InChIInChI=1S/C26H19F2N3O/c1-32-22-10-3-7-19(24(22)28)16-5-2-6-18(15-16)26(17-11-13-30-14-12-17)20-8-4-9-21(27)23(20)25(29)31-26/h2-15H,1H3,(H2,29,31)
InChIKeyXZSIDTPFYUFTSR-UHFFFAOYSA-N
MW427.45 g/mol
LogP5.05
Rot. Bonds4

About 7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine

7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine (PubChem CID 46206293) has the molecular formula C26H19F2N3O and a molecular weight of 427.45 g/mol. Its IUPAC name is 7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine.

Molecular Properties

Compound Name7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
PubChem CID46206293
Molecular FormulaC26H19F2N3O
Molecular Weight427.45 g/mol
Exact Mass427.15
IUPAC Name7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
SMILESCOc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)c4c(F)cccc43)c2)c1F
InChIInChI=1S/C26H19F2N3O/c1-32-22-10-3-7-19(24(22)28)16-5-2-6-18(15-16)26(17-11-13-30-14-12-17)20-8-4-9-21(27)23(20)25(29)31-26/h2-15H,1H3,(H2,29,31)
InChIKeyXZSIDTPFYUFTSR-UHFFFAOYSA-N
XLogP5.05
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 25119895
3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine
CID 143599384
3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-4H-imidazo[1,5-a]pyrimidin-1-ium-6-amine
CID 143594432
8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 24989869
5-[3-amino-4-fluoro-1-(3-pyrimidin-5-ylphenyl)isoindol-1-yl]-2-methoxybenzonitrile
CID 46202742
3-(3-bromophenyl)-7-fluoro-3-(4-methoxyphenyl)isoindol-1-amine
CID 58579518
2-[3-[3-amino-4-fluoro-1-(2-methoxy-4-pyridinyl)isoindol-1-yl]phenyl]pyridine-4-carbonitrile
CID 46202414
3-(4-methoxy-3-methylphenyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine;2,2,2-trifluoroacetic acid
CID 24875042
3-(2-bromo-4-pyridinyl)-7-fluoro-3-(5-methoxy-4,6-dimethyl-2-pyridinyl)isoindol-1-amine
CID 58579484
3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine
CID 59596308
(E)-but-2-enedioic acid;(3S)-3-[2-(difluoromethyl)-4-pyridinyl]-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 118753440
5-chloro-7-fluoro-3-(2-methoxyphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-amine
CID 175273194

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine?
The IUPAC name of 7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine (CID 46206293) is 7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine.
What is the SMILES notation for 7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine?
The canonical SMILES for 7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine is COc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)c4c(F)cccc43)c2)c1F.
What is the InChIKey of 7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine?
The InChIKey is XZSIDTPFYUFTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O/c1-32-22-10-3-7-19(24(22)28)16-5-2-6-18(15-16)26(17-11-13-30-14-12-17)20-8-4-9-21(27)23(20)25(29)31-26/h2-15H,1H3,(H2,29,31).
What are the key properties of 7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine?
7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine has a molecular weight of 427.45 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine is sourced from PubChem (CID 46206293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).