6-[[[1-[2-[3-fluoro-6-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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

C31H31FN6O6 — CID 71152851

IUPAC6-[[[1-[2-[3-fluoro-6-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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(OCc7cc(=O)c(O)c[nH]7)nc56)(CC3)OC4)nc2N1
InChIInChI=1S/C31H31FN6O6/c32-21-13-34-22-2-4-27(43-15-19-11-23(39)24(40)14-33-19)38-28(22)20(21)5-6-31-9-7-30(8-10-31,17-44-31)35-12-18-1-3-25-29(36-18)37-26(41)16-42-25/h1-4,11,13-14,35,40H,5-10,12,15-17H2,(H,33,39)(H,36,37,41)
InChIKeyPPPQBGNVVDZAFH-UHFFFAOYSA-N
MW602.62 g/mol
LogP3.27
Rot. Bonds9

About 6-[[[1-[2-[3-fluoro-6-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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 71152851) has the molecular formula C31H31FN6O6 and a molecular weight of 602.62 g/mol. Its IUPAC name is 6-[[[1-[2-[3-fluoro-6-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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 CID71152851
Molecular FormulaC31H31FN6O6
Molecular Weight602.62 g/mol
Exact Mass602.23
IUPAC Name6-[[[1-[2-[3-fluoro-6-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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(OCc7cc(=O)c(O)c[nH]7)nc56)(CC3)OC4)nc2N1
InChIInChI=1S/C31H31FN6O6/c32-21-13-34-22-2-4-27(43-15-19-11-23(39)24(40)14-33-19)38-28(22)20(21)5-6-31-9-7-30(8-10-31,17-44-31)35-12-18-1-3-25-29(36-18)37-26(41)16-42-25/h1-4,11,13-14,35,40H,5-10,12,15-17H2,(H,33,39)(H,36,37,41)
InChIKeyPPPQBGNVVDZAFH-UHFFFAOYSA-N
XLogP3.27
TPSA160.58 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.62
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-[[[1-[2-[3-fluoro-6-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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

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Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-[3-fluoro-6-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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 71152851) is 6-[[[1-[2-[3-fluoro-6-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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(OCc7cc(=O)c(O)c[nH]7)nc56)(CC3)OC4)nc2N1.
What is the InChIKey of 6-[[[1-[2-[3-fluoro-6-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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 PPPQBGNVVDZAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31FN6O6/c32-21-13-34-22-2-4-27(43-15-19-11-23(39)24(40)14-33-19)38-28(22)20(21)5-6-31-9-7-30(8-10-31,17-44-31)35-12-18-1-3-25-29(36-18)37-26(41)16-42-25/h1-4,11,13-14,35,40H,5-10,12,15-17H2,(H,33,39)(H,36,37,41).
What are the key properties of 6-[[[1-[2-[3-fluoro-6-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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 602.62 g/mol, XLogP of 3.27, 9 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-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)methoxy]-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 71152851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).