8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine

C17H20FN3O — CID 143269696

IUPAC8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
SMILESCOc1ccc2ncc(F)c(CCN3CC4CCC4C3)c2n1
InChIInChI=1S/C17H20FN3O/c1-22-16-5-4-15-17(20-16)13(14(18)8-19-15)6-7-21-9-11-2-3-12(11)10-21/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3
InChIKeyYUVGXNDIINZGJC-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.66
Rot. Bonds4

About 8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine

8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine (PubChem CID 143269696) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is 8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine.

Molecular Properties

Compound Name8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
PubChem CID143269696
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC Name8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
SMILESCOc1ccc2ncc(F)c(CCN3CC4CCC4C3)c2n1
InChIInChI=1S/C17H20FN3O/c1-22-16-5-4-15-17(20-16)13(14(18)8-19-15)6-7-21-9-11-2-3-12(11)10-21/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3
InChIKeyYUVGXNDIINZGJC-UHFFFAOYSA-N
XLogP2.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine?
The IUPAC name of 8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine (CID 143269696) is 8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine.
What is the SMILES notation for 8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine?
The canonical SMILES for 8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine is COc1ccc2ncc(F)c(CCN3CC4CCC4C3)c2n1.
What is the InChIKey of 8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine?
The InChIKey is YUVGXNDIINZGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-22-16-5-4-15-17(20-16)13(14(18)8-19-15)6-7-21-9-11-2-3-12(11)10-21/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3.
What are the key properties of 8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine?
8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine has a molecular weight of 301.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine is sourced from PubChem (CID 143269696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).