6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one

C22H18FN3O2 — CID 171735582

IUPAC6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(OC3CN(c4ccncc4)C3)c(-c3ccc(F)cc3)cc21
InChIInChI=1S/C22H18FN3O2/c23-16-3-1-14(2-4-16)19-10-20-15(11-25-22(20)27)9-21(19)28-18-12-26(13-18)17-5-7-24-8-6-17/h1-10,18H,11-13H2,(H,25,27)
InChIKeyWPACVQGSWJYYLN-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.40
Rot. Bonds4

About 6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one

6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one (PubChem CID 171735582) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one
PubChem CID171735582
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(OC3CN(c4ccncc4)C3)c(-c3ccc(F)cc3)cc21
InChIInChI=1S/C22H18FN3O2/c23-16-3-1-14(2-4-16)19-10-20-15(11-25-22(20)27)9-21(19)28-18-12-26(13-18)17-5-7-24-8-6-17/h1-10,18H,11-13H2,(H,25,27)
InChIKeyWPACVQGSWJYYLN-UHFFFAOYSA-N
XLogP3.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-tert-butylazetidin-3-yl)oxy-6-(4-fluorophenyl)-2,3-dihydroisoindol-1-one
CID 175802978
6-(4-fluorophenyl)-5-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxy-2,3-dihydroisoindol-1-one
CID 171735543
[6-(4-fluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl] trifluoromethanesulfonate
CID 165135959
6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one
CID 171735581
5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one
CID 140925375
6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one
CID 171097859
5-[5-[2-(2,4-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-2,3-dihydroisoindol-1-one
CID 58244205
4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 122539738
6-(2,4-difluorophenyl)-5-(1-ethylpyrazol-4-yl)-2,3-dihydroisoindol-1-one
CID 171097851
6-(1,3-benzothiazol-6-yl)-5-[(1-methylpyrazol-3-yl)methoxy]-2,3-dihydroisoindol-1-one
CID 171735617
5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-2,3-dihydroisoindol-1-one
CID 58243661
4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine
CID 118675975

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one (CID 171735582) is 6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one is O=C1NCc2cc(OC3CN(c4ccncc4)C3)c(-c3ccc(F)cc3)cc21.
What is the InChIKey of 6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one?
The InChIKey is WPACVQGSWJYYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-16-3-1-14(2-4-16)19-10-20-15(11-25-22(20)27)9-21(19)28-18-12-26(13-18)17-5-7-24-8-6-17/h1-10,18H,11-13H2,(H,25,27).
What are the key properties of 6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one?
6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one has a molecular weight of 375.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 171735582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).