1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine

C27H32FN5O2 — CID 90362924

IUPAC1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine
SMILESCc1ccc2ncc(F)c(CCC34CCC(NCc5cnc6c(c5)OCCN6C)(CC3)CO4)c2n1
InChIInChI=1S/C27H32FN5O2/c1-18-3-4-22-24(32-18)20(21(28)16-29-22)5-6-27-9-7-26(8-10-27,17-35-27)31-15-19-13-23-25(30-14-19)33(2)11-12-34-23/h3-4,13-14,16,31H,5-12,15,17H2,1-2H3
InChIKeyYXCHAVKHPFITEN-UHFFFAOYSA-N
MW477.58 g/mol
LogP4.11
Rot. Bonds6

About 1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine

1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine (PubChem CID 90362924) has the molecular formula C27H32FN5O2 and a molecular weight of 477.58 g/mol. Its IUPAC name is 1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine.

Molecular Properties

Compound Name1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine
PubChem CID90362924
Molecular FormulaC27H32FN5O2
Molecular Weight477.58 g/mol
Exact Mass477.25
IUPAC Name1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine
SMILESCc1ccc2ncc(F)c(CCC34CCC(NCc5cnc6c(c5)OCCN6C)(CC3)CO4)c2n1
InChIInChI=1S/C27H32FN5O2/c1-18-3-4-22-24(32-18)20(21(28)16-29-22)5-6-27-9-7-26(8-10-27,17-35-27)31-15-19-13-23-25(30-14-19)33(2)11-12-34-23/h3-4,13-14,16,31H,5-12,15,17H2,1-2H3
InChIKeyYXCHAVKHPFITEN-UHFFFAOYSA-N
XLogP4.11
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine?
The IUPAC name of 1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine (CID 90362924) is 1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine.
What is the SMILES notation for 1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine?
The canonical SMILES for 1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine is Cc1ccc2ncc(F)c(CCC34CCC(NCc5cnc6c(c5)OCCN6C)(CC3)CO4)c2n1.
What is the InChIKey of 1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine?
The InChIKey is YXCHAVKHPFITEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O2/c1-18-3-4-22-24(32-18)20(21(28)16-29-22)5-6-27-9-7-26(8-10-27,17-35-27)31-15-19-13-23-25(30-14-19)33(2)11-12-34-23/h3-4,13-14,16,31H,5-12,15,17H2,1-2H3.
What are the key properties of 1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine?
1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine has a molecular weight of 477.58 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine is sourced from PubChem (CID 90362924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).