[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-phenylfuran-2-yl)methanone

C23H21FN2O3 — CID 90442499

IUPAC[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-phenylfuran-2-yl)methanone
SMILESO=C(c1occc1-c1ccccc1)N1C2CCC1C(COc1ccc(F)cn1)C2
InChIInChI=1S/C23H21FN2O3/c24-17-6-9-21(25-13-17)29-14-16-12-18-7-8-20(16)26(18)23(27)22-19(10-11-28-22)15-4-2-1-3-5-15/h1-6,9-11,13,16,18,20H,7-8,12,14H2
InChIKeyYKTKMMCOGAPSHY-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.55
Rot. Bonds5

About [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-phenylfuran-2-yl)methanone

[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-phenylfuran-2-yl)methanone (PubChem CID 90442499) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-phenylfuran-2-yl)methanone.

Molecular Properties

Compound Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-phenylfuran-2-yl)methanone
PubChem CID90442499
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-phenylfuran-2-yl)methanone
SMILESO=C(c1occc1-c1ccccc1)N1C2CCC1C(COc1ccc(F)cn1)C2
InChIInChI=1S/C23H21FN2O3/c24-17-6-9-21(25-13-17)29-14-16-12-18-7-8-20(16)26(18)23(27)22-19(10-11-28-22)15-4-2-1-3-5-15/h1-6,9-11,13,16,18,20H,7-8,12,14H2
InChIKeyYKTKMMCOGAPSHY-UHFFFAOYSA-N
XLogP4.55
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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]-(3-phenylfuran-2-yl)methanone?
The IUPAC name of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-phenylfuran-2-yl)methanone (CID 90442499) is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-phenylfuran-2-yl)methanone.
What is the SMILES notation for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-phenylfuran-2-yl)methanone?
The canonical SMILES for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-phenylfuran-2-yl)methanone is O=C(c1occc1-c1ccccc1)N1C2CCC1C(COc1ccc(F)cn1)C2.
What is the InChIKey of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-phenylfuran-2-yl)methanone?
The InChIKey is YKTKMMCOGAPSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c24-17-6-9-21(25-13-17)29-14-16-12-18-7-8-20(16)26(18)23(27)22-19(10-11-28-22)15-4-2-1-3-5-15/h1-6,9-11,13,16,18,20H,7-8,12,14H2.
What are the key properties of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-phenylfuran-2-yl)methanone?
[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-phenylfuran-2-yl)methanone has a molecular weight of 392.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 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]-(3-phenylfuran-2-yl)methanone is sourced from PubChem (CID 90442499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).