6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C32H33FN6O6 — CID 71152806

IUPAC6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(OCCc7cc(=O)c(O)c[nH]7)nc56)(CC3)OC4)nc2N1
InChIInChI=1S/C32H33FN6O6/c33-22-15-35-23-2-4-28(43-12-6-19-13-24(40)25(41)16-34-19)39-29(23)21(22)5-7-32-10-8-31(9-11-32,18-45-32)36-14-20-1-3-26-30(37-20)38-27(42)17-44-26/h1-4,13,15-16,36,41H,5-12,14,17-18H2,(H,34,40)(H,37,38,42)
InChIKeyISSPJNHSXREIMX-UHFFFAOYSA-N
MW616.65 g/mol
LogP3.31
Rot. Bonds10

About 6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 71152806) has the molecular formula C32H33FN6O6 and a molecular weight of 616.65 g/mol. Its IUPAC name is 6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID71152806
Molecular FormulaC32H33FN6O6
Molecular Weight616.65 g/mol
Exact Mass616.24
IUPAC Name6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(OCCc7cc(=O)c(O)c[nH]7)nc56)(CC3)OC4)nc2N1
InChIInChI=1S/C32H33FN6O6/c33-22-15-35-23-2-4-28(43-12-6-19-13-24(40)25(41)16-34-19)39-29(23)21(22)5-7-32-10-8-31(9-11-32,18-45-32)36-14-20-1-3-26-30(37-20)38-27(42)17-44-26/h1-4,13,15-16,36,41H,5-12,14,17-18H2,(H,34,40)(H,37,38,42)
InChIKeyISSPJNHSXREIMX-UHFFFAOYSA-N
XLogP3.31
TPSA160.58 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.65
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 71152806) is 6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(OCCc7cc(=O)c(O)c[nH]7)nc56)(CC3)OC4)nc2N1.
What is the InChIKey of 6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ISSPJNHSXREIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN6O6/c33-22-15-35-23-2-4-28(43-12-6-19-13-24(40)25(41)16-34-19)39-29(23)21(22)5-7-32-10-8-31(9-11-32,18-45-32)36-14-20-1-3-26-30(37-20)38-27(42)17-44-26/h1-4,13,15-16,36,41H,5-12,14,17-18H2,(H,34,40)(H,37,38,42).
What are the key properties of 6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 616.65 g/mol, XLogP of 3.31, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-[3-fluoro-6-[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)ethoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 71152806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).