[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-pyrazol-1-ylphenyl)methanone

C22H21FN4O2 — CID 90442497

IUPAC[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccccc1-n1cccn1)N1C2CCC1C(COc1ccc(F)cn1)C2
InChIInChI=1S/C22H21FN4O2/c23-16-6-9-21(24-13-16)29-14-15-12-17-7-8-19(15)27(17)22(28)18-4-1-2-5-20(18)26-11-3-10-25-26/h1-6,9-11,13,15,17,19H,7-8,12,14H2
InChIKeyACEQZDGXQHUBSC-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.48
Rot. Bonds5

About [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-pyrazol-1-ylphenyl)methanone

[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-pyrazol-1-ylphenyl)methanone (PubChem CID 90442497) has the molecular formula C22H21FN4O2 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]-(2-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-pyrazol-1-ylphenyl)methanone
PubChem CID90442497
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccccc1-n1cccn1)N1C2CCC1C(COc1ccc(F)cn1)C2
InChIInChI=1S/C22H21FN4O2/c23-16-6-9-21(24-13-16)29-14-15-12-17-7-8-19(15)27(17)22(28)18-4-1-2-5-20(18)26-11-3-10-25-26/h1-6,9-11,13,15,17,19H,7-8,12,14H2
InChIKeyACEQZDGXQHUBSC-UHFFFAOYSA-N
XLogP3.48
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-(2-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-pyrazol-1-ylphenyl)methanone (CID 90442497) is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-pyrazol-1-ylphenyl)methanone is O=C(c1ccccc1-n1cccn1)N1C2CCC1C(COc1ccc(F)cn1)C2.
What is the InChIKey of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-pyrazol-1-ylphenyl)methanone?
The InChIKey is ACEQZDGXQHUBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-16-6-9-21(24-13-16)29-14-15-12-17-7-8-19(15)27(17)22(28)18-4-1-2-5-20(18)26-11-3-10-25-26/h1-6,9-11,13,15,17,19H,7-8,12,14H2.
What are the key properties of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-pyrazol-1-ylphenyl)methanone?
[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-pyrazol-1-ylphenyl)methanone has a molecular weight of 392.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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]-(2-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 90442497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).