4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane

C18H19FN2O — CID 67494131

IUPAC4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane
SMILESCOc1cc(F)cc(-c2ccc(C34CCN(CC3)C4)cn2)c1
InChIInChI=1S/C18H19FN2O/c1-22-16-9-13(8-15(19)10-16)17-3-2-14(11-20-17)18-4-6-21(12-18)7-5-18/h2-3,8-11H,4-7,12H2,1H3
InChIKeyAJBAIACPJWAMND-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.24
Rot. Bonds3

About 4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane

4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane (PubChem CID 67494131) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane
PubChem CID67494131
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane
SMILESCOc1cc(F)cc(-c2ccc(C34CCN(CC3)C4)cn2)c1
InChIInChI=1S/C18H19FN2O/c1-22-16-9-13(8-15(19)10-16)17-3-2-14(11-20-17)18-4-6-21(12-18)7-5-18/h2-3,8-11H,4-7,12H2,1H3
InChIKeyAJBAIACPJWAMND-UHFFFAOYSA-N
XLogP3.24
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane (CID 67494131) is 4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane is COc1cc(F)cc(-c2ccc(C34CCN(CC3)C4)cn2)c1.
What is the InChIKey of 4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane?
The InChIKey is AJBAIACPJWAMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-22-16-9-13(8-15(19)10-16)17-3-2-14(11-20-17)18-4-6-21(12-18)7-5-18/h2-3,8-11H,4-7,12H2,1H3.
What are the key properties of 4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane?
4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane has a molecular weight of 298.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 67494131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).