1-[3-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-2,3-dihydro-1H-isoindole

C20H17FN2O — CID 123544725

IUPAC1-[3-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-2,3-dihydro-1H-isoindole
SMILESCc1ccc(Oc2cc(F)cc(C3NCc4ccccc43)c2)cn1
InChIInChI=1S/C20H17FN2O/c1-13-6-7-17(12-22-13)24-18-9-15(8-16(21)10-18)20-19-5-3-2-4-14(19)11-23-20/h2-10,12,20,23H,11H2,1H3
InChIKeyKYVHTHJEXBZUFD-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.51
Rot. Bonds3

About 1-[3-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-2,3-dihydro-1H-isoindole

1-[3-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-2,3-dihydro-1H-isoindole (PubChem CID 123544725) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-[3-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-[3-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-2,3-dihydro-1H-isoindole
PubChem CID123544725
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC Name1-[3-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-2,3-dihydro-1H-isoindole
SMILESCc1ccc(Oc2cc(F)cc(C3NCc4ccccc43)c2)cn1
InChIInChI=1S/C20H17FN2O/c1-13-6-7-17(12-22-13)24-18-9-15(8-16(21)10-18)20-19-5-3-2-4-14(19)11-23-20/h2-10,12,20,23H,11H2,1H3
InChIKeyKYVHTHJEXBZUFD-UHFFFAOYSA-N
XLogP4.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-(1H-Indol-3-YL)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-YL}oxy)methyl]ethylamine
CID 6914613
3-[(2R)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10150362
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
3-[(2S)-2-amino-3-{[5-(pyridin-4-yl)pyridin-3-yl]oxy}propyl]-1H-indole
CID 20744784
(R)-4-(5-(Pyrrolidin-3-ylmethoxy)-2-(p-tolyl)pyridin-3-yl)benzonitrile
CID 72793898
[3-(1H-Indol-3-yl)-propyl]-[2-(quinolin-8-yloxy)-ethyl]-amine
CID 9906183
3-(4-Fluoro-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480242
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-phenylamine
CID 44372111
3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1-methyl-1H-indole
CID 20744797
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1-fluoroisoquinoline
CID 23647577
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-fluoroisoquinoline
CID 23647581
3-[(2S)-2-amino-3-{[5-(4-fluorophenyl)pyridin-3-yl]oxy}propyl]-1H-indole
CID 10193747

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-[3-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-2,3-dihydro-1H-isoindole (CID 123544725) is 1-[3-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-[3-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-[3-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-2,3-dihydro-1H-isoindole is Cc1ccc(Oc2cc(F)cc(C3NCc4ccccc43)c2)cn1.
What is the InChIKey of 1-[3-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-2,3-dihydro-1H-isoindole?
The InChIKey is KYVHTHJEXBZUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O/c1-13-6-7-17(12-22-13)24-18-9-15(8-16(21)10-18)20-19-5-3-2-4-14(19)11-23-20/h2-10,12,20,23H,11H2,1H3.
What are the key properties of 1-[3-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-2,3-dihydro-1H-isoindole?
1-[3-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-2,3-dihydro-1H-isoindole has a molecular weight of 320.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 123544725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).