6-[[[1-[2-(3-fluoro-6-propan-2-yloxy-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

C28H32FN5O4 — CID 122186273

IUPAC6-[[[1-[2-(3-fluoro-6-propan-2-yloxy-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
SMILESCC(C)Oc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1
InChIInChI=1S/C28H32FN5O4/c1-17(2)38-24-6-4-21-25(34-24)19(20(29)14-30-21)7-8-28-11-9-27(10-12-28,16-37-28)31-13-18-3-5-22-26(32-18)33-23(35)15-36-22/h3-6,14,17,31H,7-13,15-16H2,1-2H3,(H,32,33,35)
InChIKeyGRICKAAZQBDHJM-UHFFFAOYSA-N
MW521.59 g/mol
LogP4.09
Rot. Bonds8

About 6-[[[1-[2-(3-fluoro-6-propan-2-yloxy-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-propan-2-yloxy-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 122186273) has the molecular formula C28H32FN5O4 and a molecular weight of 521.59 g/mol. Its IUPAC name is 6-[[[1-[2-(3-fluoro-6-propan-2-yloxy-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-propan-2-yloxy-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 CID122186273
Molecular FormulaC28H32FN5O4
Molecular Weight521.59 g/mol
Exact Mass521.24
IUPAC Name6-[[[1-[2-(3-fluoro-6-propan-2-yloxy-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
SMILESCC(C)Oc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1
InChIInChI=1S/C28H32FN5O4/c1-17(2)38-24-6-4-21-25(34-24)19(20(29)14-30-21)7-8-28-11-9-27(10-12-28,16-37-28)31-13-18-3-5-22-26(32-18)33-23(35)15-36-22/h3-6,14,17,31H,7-13,15-16H2,1-2H3,(H,32,33,35)
InChIKeyGRICKAAZQBDHJM-UHFFFAOYSA-N
XLogP4.09
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.59
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[[1-[2-(3-fluoro-6-propan-2-yloxy-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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Related Compounds

6-[({(1r,4s)-1-[(1s)-2-(3-Fluoro-6-Methoxy-1,5-Naphthyridin-4-Yl)-1-Hydroxyethyl]-2-Oxabicyclo[2.2.2]oct-4-Yl}amino)methyl]-2h-Pyrido[3,2-B][1,4]oxazin-3(4h)-One
CID 74627726
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
6-[[[1-[2-(3,7-difluoro-6-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 71152871
2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
CID 122192868
6-[[[1-[2-[3-fluoro-7-(trifluoromethyl)-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 118736036
2-methyl-8-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridine-3-carbonitrile
CID 118736045
6-[[[1-[2-[6-(trifluoromethyl)-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 118736051
6-[[[1-[2-[7-(trifluoromethyl)-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 118736052
6-[[[(3R,6S)-6-[(1R)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129265
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129266
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129956
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25134040

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-(3-fluoro-6-propan-2-yloxy-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-propan-2-yloxy-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 122186273) is 6-[[[1-[2-(3-fluoro-6-propan-2-yloxy-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-propan-2-yloxy-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-propan-2-yloxy-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 CC(C)Oc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1.
What is the InChIKey of 6-[[[1-[2-(3-fluoro-6-propan-2-yloxy-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 GRICKAAZQBDHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O4/c1-17(2)38-24-6-4-21-25(34-24)19(20(29)14-30-21)7-8-28-11-9-27(10-12-28,16-37-28)31-13-18-3-5-22-26(32-18)33-23(35)15-36-22/h3-6,14,17,31H,7-13,15-16H2,1-2H3,(H,32,33,35).
What are the key properties of 6-[[[1-[2-(3-fluoro-6-propan-2-yloxy-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-propan-2-yloxy-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 521.59 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(3-fluoro-6-propan-2-yloxy-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 122186273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).