6-[[2-(3-fluoro-6-methyl-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

C26H28FN5O3 — CID 123455110

IUPAC6-[[2-(3-fluoro-6-methyl-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
SMILESCc1ccc2ncc(F)c(CCN(Cc3ccc4c(n3)NC(=O)CO4)C34CCC(CC3)OC4)c2n1
InChIInChI=1S/C26H28FN5O3/c1-16-2-4-21-24(29-16)19(20(27)12-28-21)8-11-32(26-9-6-18(7-10-26)35-15-26)13-17-3-5-22-25(30-17)31-23(33)14-34-22/h2-5,12,18H,6-11,13-15H2,1H3,(H,30,31,33)
InChIKeyISWWDJRZOHRPEP-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.56
Rot. Bonds6

About 6-[[2-(3-fluoro-6-methyl-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-[[2-(3-fluoro-6-methyl-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 123455110) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is 6-[[2-(3-fluoro-6-methyl-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-[[2-(3-fluoro-6-methyl-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 CID123455110
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC Name6-[[2-(3-fluoro-6-methyl-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
SMILESCc1ccc2ncc(F)c(CCN(Cc3ccc4c(n3)NC(=O)CO4)C34CCC(CC3)OC4)c2n1
InChIInChI=1S/C26H28FN5O3/c1-16-2-4-21-24(29-16)19(20(27)12-28-21)8-11-32(26-9-6-18(7-10-26)35-15-26)13-17-3-5-22-25(30-17)31-23(33)14-34-22/h2-5,12,18H,6-11,13-15H2,1H3,(H,30,31,33)
InChIKeyISWWDJRZOHRPEP-UHFFFAOYSA-N
XLogP3.56
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[2-(3-fluoro-6-methyl-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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Launch Full Analysis

Related Compounds

6-[[[4-[2-(3-amino-6-methyl-1,5-naphthyridin-4-yl)ethyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 160530022
6-[[[3-ethyl-6-[2-[3-fluoro-6-(3-hydroxypropoxy)-1,5-naphthyridin-4-yl]ethyl]-6-methyloxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71486694
6-[[[1-[2-[6-[(3-amino-4-oxoazetidin-2-yl)methoxy]-3-fluoro-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 78015452
6-[[[1-[2-(3-fluoro-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 71152940
6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 59130269
2-[6-[[(3aS,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl-(2-oxabicyclo[2.2.2]octan-4-yl)carbamic acid
CID 71151132
6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-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 71153155
2,2-difluoro-4-[[7-fluoro-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-naphthyridin-2-yl]oxy]butanamide
CID 71152878
6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 143159682
6-[[[4-[(Z)-2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethenyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90362867
methyl 1-[[7-fluoro-8-[2-[4-[methyl-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridin-2-yl]oxymethyl]cyclopropane-1-carboxylate
CID 90355577
tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate
CID 67365947

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-fluoro-6-methyl-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-[[2-(3-fluoro-6-methyl-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 123455110) is 6-[[2-(3-fluoro-6-methyl-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-[[2-(3-fluoro-6-methyl-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-[[2-(3-fluoro-6-methyl-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 Cc1ccc2ncc(F)c(CCN(Cc3ccc4c(n3)NC(=O)CO4)C34CCC(CC3)OC4)c2n1.
What is the InChIKey of 6-[[2-(3-fluoro-6-methyl-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 ISWWDJRZOHRPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-16-2-4-21-24(29-16)19(20(27)12-28-21)8-11-32(26-9-6-18(7-10-26)35-15-26)13-17-3-5-22-25(30-17)31-23(33)14-34-22/h2-5,12,18H,6-11,13-15H2,1H3,(H,30,31,33).
What are the key properties of 6-[[2-(3-fluoro-6-methyl-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-[[2-(3-fluoro-6-methyl-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 477.54 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-fluoro-6-methyl-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 123455110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).