[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-naphthalen-1-ylmethanone

C23H21FN2O2 — CID 90442495

IUPAC[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1C2CCC1C(COc1ccc(F)cn1)C2
InChIInChI=1S/C23H21FN2O2/c24-17-8-11-22(25-13-17)28-14-16-12-18-9-10-21(16)26(18)23(27)20-7-3-5-15-4-1-2-6-19(15)20/h1-8,11,13,16,18,21H,9-10,12,14H2
InChIKeyKILRUPZFIUOIAS-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.45
Rot. Bonds4

About [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-naphthalen-1-ylmethanone

[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-naphthalen-1-ylmethanone (PubChem CID 90442495) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-naphthalen-1-ylmethanone
PubChem CID90442495
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1C2CCC1C(COc1ccc(F)cn1)C2
InChIInChI=1S/C23H21FN2O2/c24-17-8-11-22(25-13-17)28-14-16-12-18-9-10-21(16)26(18)23(27)20-7-3-5-15-4-1-2-6-19(15)20/h1-8,11,13,16,18,21H,9-10,12,14H2
InChIKeyKILRUPZFIUOIAS-UHFFFAOYSA-N
XLogP4.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-naphthalen-1-ylmethanone (CID 90442495) is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)N1C2CCC1C(COc1ccc(F)cn1)C2.
What is the InChIKey of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-naphthalen-1-ylmethanone?
The InChIKey is KILRUPZFIUOIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c24-17-8-11-22(25-13-17)28-14-16-12-18-9-10-21(16)26(18)23(27)20-7-3-5-15-4-1-2-6-19(15)20/h1-8,11,13,16,18,21H,9-10,12,14H2.
What are the key properties of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-naphthalen-1-ylmethanone?
[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-naphthalen-1-ylmethanone has a molecular weight of 376.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 90442495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).