1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine

C29H36FN5O2 — CID 71151001

IUPAC1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine
SMILESCOc1ccc2ncc(F)c(CCC34CCC(NCc5ccc(N6CCCCC6)nc5)(CC3)CO4)c2n1
InChIInChI=1S/C29H36FN5O2/c1-36-26-8-6-24-27(34-26)22(23(30)19-31-24)9-10-29-13-11-28(12-14-29,20-37-29)33-18-21-5-7-25(32-17-21)35-15-3-2-4-16-35/h5-8,17,19,33H,2-4,9-16,18,20H2,1H3
InChIKeyWYTPLZAGNMXVGU-UHFFFAOYSA-N
MW505.64 g/mol
LogP4.97
Rot. Bonds8

About 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine

1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine (PubChem CID 71151001) has the molecular formula C29H36FN5O2 and a molecular weight of 505.64 g/mol. Its IUPAC name is 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-piperidin-1-yl-3-pyridinyl)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-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine
PubChem CID71151001
Molecular FormulaC29H36FN5O2
Molecular Weight505.64 g/mol
Exact Mass505.29
IUPAC Name1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine
SMILESCOc1ccc2ncc(F)c(CCC34CCC(NCc5ccc(N6CCCCC6)nc5)(CC3)CO4)c2n1
InChIInChI=1S/C29H36FN5O2/c1-36-26-8-6-24-27(34-26)22(23(30)19-31-24)9-10-29-13-11-28(12-14-29,20-37-29)33-18-21-5-7-25(32-17-21)35-15-3-2-4-16-35/h5-8,17,19,33H,2-4,9-16,18,20H2,1H3
InChIKeyWYTPLZAGNMXVGU-UHFFFAOYSA-N
XLogP4.97
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.64
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-piperidin-1-yl-3-pyridinyl)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-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine (CID 71151001) is 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-piperidin-1-yl-3-pyridinyl)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-[(6-piperidin-1-yl-3-pyridinyl)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-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine is COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc(N6CCCCC6)nc5)(CC3)CO4)c2n1.
What is the InChIKey of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine?
The InChIKey is WYTPLZAGNMXVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36FN5O2/c1-36-26-8-6-24-27(34-26)22(23(30)19-31-24)9-10-29-13-11-28(12-14-29,20-37-29)33-18-21-5-7-25(32-17-21)35-15-3-2-4-16-35/h5-8,17,19,33H,2-4,9-16,18,20H2,1H3.
What are the key properties of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine?
1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine has a molecular weight of 505.64 g/mol, XLogP of 4.97, 8 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-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine is sourced from PubChem (CID 71151001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).