1-[2-(3-fluoro-6-methoxy-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

C27H32FN5O3 — CID 71181405

IUPAC1-[2-(3-fluoro-6-methoxy-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
SMILESCOc1ccc2ncc(F)c(CCC34CCC(NCc5cnc6c(c5)OCCN6C)(CC3)CO4)c2n1
InChIInChI=1S/C27H32FN5O3/c1-33-11-12-35-22-13-18(14-30-25(22)33)15-31-26-7-9-27(10-8-26,36-17-26)6-5-19-20(28)16-29-21-3-4-23(34-2)32-24(19)21/h3-4,13-14,16,31H,5-12,15,17H2,1-2H3
InChIKeyHERIRVOGXSNZMT-UHFFFAOYSA-N
MW493.58 g/mol
LogP3.81
Rot. Bonds7

About 1-[2-(3-fluoro-6-methoxy-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-methoxy-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 71181405) has the molecular formula C27H32FN5O3 and a molecular weight of 493.58 g/mol. Its IUPAC name is 1-[2-(3-fluoro-6-methoxy-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-methoxy-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 CID71181405
Molecular FormulaC27H32FN5O3
Molecular Weight493.58 g/mol
Exact Mass493.25
IUPAC Name1-[2-(3-fluoro-6-methoxy-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
SMILESCOc1ccc2ncc(F)c(CCC34CCC(NCc5cnc6c(c5)OCCN6C)(CC3)CO4)c2n1
InChIInChI=1S/C27H32FN5O3/c1-33-11-12-35-22-13-18(14-30-25(22)33)15-31-26-7-9-27(10-8-26,36-17-26)6-5-19-20(28)16-29-21-3-4-23(34-2)32-24(19)21/h3-4,13-14,16,31H,5-12,15,17H2,1-2H3
InChIKeyHERIRVOGXSNZMT-UHFFFAOYSA-N
XLogP3.81
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-(3-fluoro-6-methoxy-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-methoxy-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-methoxy-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 71181405) is 1-[2-(3-fluoro-6-methoxy-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-methoxy-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-methoxy-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 COc1ccc2ncc(F)c(CCC34CCC(NCc5cnc6c(c5)OCCN6C)(CC3)CO4)c2n1.
What is the InChIKey of 1-[2-(3-fluoro-6-methoxy-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 HERIRVOGXSNZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O3/c1-33-11-12-35-22-13-18(14-30-25(22)33)15-31-26-7-9-27(10-8-26,36-17-26)6-5-19-20(28)16-29-21-3-4-23(34-2)32-24(19)21/h3-4,13-14,16,31H,5-12,15,17H2,1-2H3.
What are the key properties of 1-[2-(3-fluoro-6-methoxy-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-methoxy-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 493.58 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-6-methoxy-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 71181405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).