6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one

C25H24FN3O3 — CID 164610297

IUPAC6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one
SMILESC[C@@H]1CN(c2cc(-c3cc4c(c(-c5cc(O)cc(F)c5)c3)CNC4=O)ccn2)C[C@H](C)O1
InChIInChI=1S/C25H24FN3O3/c1-14-12-29(13-15(2)32-14)24-9-16(3-4-27-24)17-7-21(18-5-19(26)10-20(30)6-18)23-11-28-25(31)22(23)8-17/h3-10,14-15,30H,11-13H2,1-2H3,(H,28,31)/t14-,15+
InChIKeyOAEUCSXHOVTVLK-GASCZTMLSA-N
MW433.48 g/mol
LogP4.12
Rot. Bonds3

About 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one

6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one (PubChem CID 164610297) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one
PubChem CID164610297
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one
SMILESC[C@@H]1CN(c2cc(-c3cc4c(c(-c5cc(O)cc(F)c5)c3)CNC4=O)ccn2)C[C@H](C)O1
InChIInChI=1S/C25H24FN3O3/c1-14-12-29(13-15(2)32-14)24-9-16(3-4-27-24)17-7-21(18-5-19(26)10-20(30)6-18)23-11-28-25(31)22(23)8-17/h3-10,14-15,30H,11-13H2,1-2H3,(H,28,31)/t14-,15+
InChIKeyOAEUCSXHOVTVLK-GASCZTMLSA-N
XLogP4.12
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(hydroxymethyl)-3-(2-morpholinopyridin-4-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 86298091
2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-4-[4-(trifluoromethoxy)phenyl]-3H-isoindol-1-one
CID 137657243
1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 122653720
1-[4-[(4-Fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122654150
4-(3-hydroxyphenyl)-6-morpholin-4-yl-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134809443
2-hydroxy-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 38495313
(2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 66820478
3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 66827081
(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68098533
3-[(2R)-2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-N-[[2-fluoro-4-(4-hydroxyphenyl)phenyl]methyl]benzamide
CID 69219984
[4-[5-(3-Hydroxyphenyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 71083545
[4-[3-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]carbamoyl]-2-methylphenyl]phenyl] hypofluorite
CID 71155961

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one (CID 164610297) is 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one is C[C@@H]1CN(c2cc(-c3cc4c(c(-c5cc(O)cc(F)c5)c3)CNC4=O)ccn2)C[C@H](C)O1.
What is the InChIKey of 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one?
The InChIKey is OAEUCSXHOVTVLK-GASCZTMLSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-14-12-29(13-15(2)32-14)24-9-16(3-4-27-24)17-7-21(18-5-19(26)10-20(30)6-18)23-11-28-25(31)22(23)8-17/h3-10,14-15,30H,11-13H2,1-2H3,(H,28,31)/t14-,15+.
What are the key properties of 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one?
6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one has a molecular weight of 433.48 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 164610297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).