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

C21H15F3N4O2 — CID 118400038

IUPAC3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(2-hydroxyethyl)-1,6-naphthyridin-2-one
SMILESO=c1c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(F)cn3)cc2n1CCO
InChIInChI=1S/C21H15F3N4O2/c22-13-4-5-18(26-11-13)27-19-9-17-12(10-25-19)8-14(21(30)28(17)6-7-29)20-15(23)2-1-3-16(20)24/h1-5,8-11,29H,6-7H2,(H,25,26,27)
InChIKeyJIHOLWSGBOJOLS-UHFFFAOYSA-N
MW412.37 g/mol
LogP3.61
Rot. Bonds5

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

3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(2-hydroxyethyl)-1,6-naphthyridin-2-one (PubChem CID 118400038) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(2-hydroxyethyl)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(2-hydroxyethyl)-1,6-naphthyridin-2-one
PubChem CID118400038
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC Name3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(2-hydroxyethyl)-1,6-naphthyridin-2-one
SMILESO=c1c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(F)cn3)cc2n1CCO
InChIInChI=1S/C21H15F3N4O2/c22-13-4-5-18(26-11-13)27-19-9-17-12(10-25-19)8-14(21(30)28(17)6-7-29)20-15(23)2-1-3-16(20)24/h1-5,8-11,29H,6-7H2,(H,25,26,27)
InChIKeyJIHOLWSGBOJOLS-UHFFFAOYSA-N
XLogP3.61
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(2-hydroxyethyl)-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(2-hydroxyethyl)-1,6-naphthyridin-2-one (CID 118400038) is 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(2-hydroxyethyl)-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(2-hydroxyethyl)-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(2-hydroxyethyl)-1,6-naphthyridin-2-one is O=c1c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(F)cn3)cc2n1CCO.
What is the InChIKey of 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(2-hydroxyethyl)-1,6-naphthyridin-2-one?
The InChIKey is JIHOLWSGBOJOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c22-13-4-5-18(26-11-13)27-19-9-17-12(10-25-19)8-14(21(30)28(17)6-7-29)20-15(23)2-1-3-16(20)24/h1-5,8-11,29H,6-7H2,(H,25,26,27).
What are the key properties of 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(2-hydroxyethyl)-1,6-naphthyridin-2-one?
3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(2-hydroxyethyl)-1,6-naphthyridin-2-one has a molecular weight of 412.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(2-hydroxyethyl)-1,6-naphthyridin-2-one is sourced from PubChem (CID 118400038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).