4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one

C21H19F2N3O3 — CID 76687101

IUPAC4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCOc1c(F)cc(-c2cc3ncccc3c(OC(C)C3CNC(=O)C3)n2)cc1F
InChIInChI=1S/C21H19F2N3O3/c1-11(13-8-19(27)25-10-13)29-21-14-4-3-5-24-18(14)9-17(26-21)12-6-15(22)20(28-2)16(23)7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,25,27)
InChIKeyYELDWGRYCRSCOM-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.49
Rot. Bonds5

About 4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one

4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 76687101) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is 4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
PubChem CID76687101
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCOc1c(F)cc(-c2cc3ncccc3c(OC(C)C3CNC(=O)C3)n2)cc1F
InChIInChI=1S/C21H19F2N3O3/c1-11(13-8-19(27)25-10-13)29-21-14-4-3-5-24-18(14)9-17(26-21)12-6-15(22)20(28-2)16(23)7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,25,27)
InChIKeyYELDWGRYCRSCOM-UHFFFAOYSA-N
XLogP3.49
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687132
(4R)-4-[(1R)-1-[(7-pyridin-2-yl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one
CID 58072036
4-[1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687214
(4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71495236
(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one
CID 58071915
4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methylbutyl]pyrrolidin-2-one
CID 76687212
4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one
CID 76687088
(4R)-4-[(1R)-1-[6-(6-methoxy-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 118401297
4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 77444763
(4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 71496251
4-[[7-(4-fluoro-3-methoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 76687103
(3S)-3-[(1R)-1-[[7-[3-methoxy-4-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]ethyl]cyclohexan-1-one
CID 138656104

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (CID 76687101) is 4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is COc1c(F)cc(-c2cc3ncccc3c(OC(C)C3CNC(=O)C3)n2)cc1F.
What is the InChIKey of 4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is YELDWGRYCRSCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c1-11(13-8-19(27)25-10-13)29-21-14-4-3-5-24-18(14)9-17(26-21)12-6-15(22)20(28-2)16(23)7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,25,27).
What are the key properties of 4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 399.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 76687101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).