2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one

C24H17F2N3O2 — CID 123229935

IUPAC2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one
SMILESCC(c1cc2ncccc2nc1-c1cc(F)cc(F)c1)N1C(=O)c2ccccc2C1O
InChIInChI=1S/C24H17F2N3O2/c1-13(29-23(30)17-5-2-3-6-18(17)24(29)31)19-12-21-20(7-4-8-27-21)28-22(19)14-9-15(25)11-16(26)10-14/h2-13,23,30H,1H3
InChIKeyPYMMQAOAFJSRCG-UHFFFAOYSA-N
MW417.42 g/mol
LogP4.78
Rot. Bonds3

About 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one

2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one (PubChem CID 123229935) has the molecular formula C24H17F2N3O2 and a molecular weight of 417.42 g/mol. Its IUPAC name is 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one
PubChem CID123229935
Molecular FormulaC24H17F2N3O2
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one
SMILESCC(c1cc2ncccc2nc1-c1cc(F)cc(F)c1)N1C(=O)c2ccccc2C1O
InChIInChI=1S/C24H17F2N3O2/c1-13(29-23(30)17-5-2-3-6-18(17)24(29)31)19-12-21-20(7-4-8-27-21)28-22(19)14-9-15(25)11-16(26)10-14/h2-13,23,30H,1H3
InChIKeyPYMMQAOAFJSRCG-UHFFFAOYSA-N
XLogP4.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one with MolForge

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Related Compounds

6-[[[(1R)-1-(2,4-difluorophenyl)ethyl]-(isoquinoline-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 122178107
3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one
CID 5307393
3-[(4-Fluorophenyl)-hydroxy-methyl]-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carbohydroxamic acid
CID 15957051
[4-[[3-(Hydroxymethyl)indol-1-yl]methyl]phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 177646877
(RS)-3-hydroxy-2-{2-[4-((5-fluoro-3-indolyl)methyl)piperidino]ethyl}isoindolinone
CID 19898892
N-[7-(hydroxymethyl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 24802897
N-[7-(1-hydroxyethyl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 24803057
2-[5-fluoro-2-(hydroxymethyl)-3-[1-methyl-5-[[5-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]methyl]-6-oxo-3-pyridinyl]phenyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 58043976
2-[3-[5-[[5-(4-Ethylpiperazin-1-yl)-2-pyridinyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-5-fluoro-2-(hydroxymethyl)phenyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 58043991
2-[5-Fluoro-2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-6-oxo-3-pyridinyl]phenyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 58044035
2-[5-Fluoro-2-(hydroxymethyl)-3-[1-methyl-5-[[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]methyl]-6-oxo-3-pyridinyl]phenyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 58044051
2-[5-fluoro-2-(hydroxymethyl)-3-[1-methyl-5-[[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]methyl]-6-oxo-3-pyridinyl]phenyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 58044152

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one (CID 123229935) is 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one is CC(c1cc2ncccc2nc1-c1cc(F)cc(F)c1)N1C(=O)c2ccccc2C1O.
What is the InChIKey of 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one?
The InChIKey is PYMMQAOAFJSRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O2/c1-13(29-23(30)17-5-2-3-6-18(17)24(29)31)19-12-21-20(7-4-8-27-21)28-22(19)14-9-15(25)11-16(26)10-14/h2-13,23,30H,1H3.
What are the key properties of 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one?
2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one has a molecular weight of 417.42 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 123229935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).