3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-phenyl-1,6-naphthyridin-2-one

C25H15F3N4O — CID 118383362

IUPAC3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-phenyl-1,6-naphthyridin-2-one
SMILESO=c1c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(F)cn3)cc2n1-c1ccccc1
InChIInChI=1S/C25H15F3N4O/c26-16-9-10-22(30-14-16)31-23-12-21-15(13-29-23)11-18(24-19(27)7-4-8-20(24)28)25(33)32(21)17-5-2-1-3-6-17/h1-14H,(H,29,30,31)
InChIKeyLCVPHFSKKKENMM-UHFFFAOYSA-N
MW444.42 g/mol
LogP5.61
Rot. Bonds4

About 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-phenyl-1,6-naphthyridin-2-one

3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-phenyl-1,6-naphthyridin-2-one (PubChem CID 118383362) has the molecular formula C25H15F3N4O and a molecular weight of 444.42 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-phenyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-phenyl-1,6-naphthyridin-2-one
PubChem CID118383362
Molecular FormulaC25H15F3N4O
Molecular Weight444.42 g/mol
Exact Mass444.12
IUPAC Name3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-phenyl-1,6-naphthyridin-2-one
SMILESO=c1c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(F)cn3)cc2n1-c1ccccc1
InChIInChI=1S/C25H15F3N4O/c26-16-9-10-22(30-14-16)31-23-12-21-15(13-29-23)11-18(24-19(27)7-4-8-20(24)28)25(33)32(21)17-5-2-1-3-6-17/h1-14H,(H,29,30,31)
InChIKeyLCVPHFSKKKENMM-UHFFFAOYSA-N
XLogP5.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.42
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-phenyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-phenyl-1,6-naphthyridin-2-one (CID 118383362) is 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-phenyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-phenyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-phenyl-1,6-naphthyridin-2-one is O=c1c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(F)cn3)cc2n1-c1ccccc1.
What is the InChIKey of 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-phenyl-1,6-naphthyridin-2-one?
The InChIKey is LCVPHFSKKKENMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F3N4O/c26-16-9-10-22(30-14-16)31-23-12-21-15(13-29-23)11-18(24-19(27)7-4-8-20(24)28)25(33)32(21)17-5-2-1-3-6-17/h1-14H,(H,29,30,31).
What are the key properties of 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-phenyl-1,6-naphthyridin-2-one?
3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-phenyl-1,6-naphthyridin-2-one has a molecular weight of 444.42 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-phenyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 118383362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).