6-chloro-4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one

C20H19ClF2N4O — CID 175950949

IUPAC6-chloro-4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one
SMILESCn1c(=O)cc(N2CCN(Cc3ccc(F)cc3F)CC2)c2nc(Cl)ccc21
InChIInChI=1S/C20H19ClF2N4O/c1-25-16-4-5-18(21)24-20(16)17(11-19(25)28)27-8-6-26(7-9-27)12-13-2-3-14(22)10-15(13)23/h2-5,10-11H,6-9,12H2,1H3
InChIKeyJQERFVFUMYBARR-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.19
Rot. Bonds3

About 6-chloro-4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one

6-chloro-4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one (PubChem CID 175950949) has the molecular formula C20H19ClF2N4O and a molecular weight of 404.85 g/mol. Its IUPAC name is 6-chloro-4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name6-chloro-4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one
PubChem CID175950949
Molecular FormulaC20H19ClF2N4O
Molecular Weight404.85 g/mol
Exact Mass404.12
IUPAC Name6-chloro-4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one
SMILESCn1c(=O)cc(N2CCN(Cc3ccc(F)cc3F)CC2)c2nc(Cl)ccc21
InChIInChI=1S/C20H19ClF2N4O/c1-25-16-4-5-18(21)24-20(16)17(11-19(25)28)27-8-6-26(7-9-27)12-13-2-3-14(22)10-15(13)23/h2-5,10-11H,6-9,12H2,1H3
InChIKeyJQERFVFUMYBARR-UHFFFAOYSA-N
XLogP3.19
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-[(2S)-4-[(2,4-difluorophenyl)methyl]-2-ethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146529606
6-chloro-4-[4-[(4-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 150215107
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
8-[(2S)-4-[(2,4-difluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 169079814
8-[4-[(3-fluoro-4-hydroxyphenyl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 175508086
4-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-6-bromo-1-methyl-1,5-naphthyridin-2-one
CID 175508065
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine
CID 55218660
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol
CID 2057631
4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one
CID 175950950
1-[(2,4-difluorophenyl)methyl]-3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione
CID 4075506
6-chloro-4-[4-[(2-fluoro-6-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 151596454
6-chloro-1-methyl-4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 151095410

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one?
The IUPAC name of 6-chloro-4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one (CID 175950949) is 6-chloro-4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 6-chloro-4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one?
The canonical SMILES for 6-chloro-4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one is Cn1c(=O)cc(N2CCN(Cc3ccc(F)cc3F)CC2)c2nc(Cl)ccc21.
What is the InChIKey of 6-chloro-4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one?
The InChIKey is JQERFVFUMYBARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N4O/c1-25-16-4-5-18(21)24-20(16)17(11-19(25)28)27-8-6-26(7-9-27)12-13-2-3-14(22)10-15(13)23/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 6-chloro-4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one?
6-chloro-4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one has a molecular weight of 404.85 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 175950949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).