[6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azatricyclo[4.3.0.03,7]nonan-2-yl]-(3-methylphenyl)methanone

C22H23FN2O2 — CID 130329758

IUPAC[6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azatricyclo[4.3.0.03,7]nonan-2-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2C3CCC4(COc5ccc(F)cn5)C3CCC24)c1
InChIInChI=1S/C22H23FN2O2/c1-14-3-2-4-15(11-14)21(26)25-18-9-10-22(17(18)6-7-19(22)25)13-27-20-8-5-16(23)12-24-20/h2-5,8,11-12,17-19H,6-7,9-10,13H2,1H3
InChIKeyOKQGSDXFKVLGMA-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.99
Rot. Bonds4

About [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azatricyclo[4.3.0.03,7]nonan-2-yl]-(3-methylphenyl)methanone

[6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azatricyclo[4.3.0.03,7]nonan-2-yl]-(3-methylphenyl)methanone (PubChem CID 130329758) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azatricyclo[4.3.0.03,7]nonan-2-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azatricyclo[4.3.0.03,7]nonan-2-yl]-(3-methylphenyl)methanone
PubChem CID130329758
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name[6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azatricyclo[4.3.0.03,7]nonan-2-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2C3CCC4(COc5ccc(F)cn5)C3CCC24)c1
InChIInChI=1S/C22H23FN2O2/c1-14-3-2-4-15(11-14)21(26)25-18-9-10-22(17(18)6-7-19(22)25)13-27-20-8-5-16(23)12-24-20/h2-5,8,11-12,17-19H,6-7,9-10,13H2,1H3
InChIKeyOKQGSDXFKVLGMA-UHFFFAOYSA-N
XLogP3.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-[(5-fluoro-2-pyridinyl)oxymethyl]-2-(2-methylcyclopropyl)cyclobutyl]-5-methyl-2-phenylbenzamide
CID 138738202
[3-(4-fluorophenyl)phenyl]-[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118940596
[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(3-methylphenyl)methanone
CID 155991254
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methylphenyl)methanone
CID 791598
[3-(4-fluorophenyl)azepan-1-yl]-(3-methylphenyl)methanone
CID 90608748
[(3R)-2-ethyl-3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 130329590
(5-methyl-2-pyridinyl) 3-methylbenzoate
CID 836259
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
(3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone
CID 53150992
(3-methylphenyl)-spiro[4a,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[5,1-b]quinazoline-9,1'-cyclohexane]-4-ylmethanone
CID 73220499
(5S)-7-fluoro-5-(4-fluorophenyl)-4-(3-methylbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2160093
(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162413

Frequently Asked Questions

What is the IUPAC name of [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azatricyclo[4.3.0.03,7]nonan-2-yl]-(3-methylphenyl)methanone?
The IUPAC name of [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azatricyclo[4.3.0.03,7]nonan-2-yl]-(3-methylphenyl)methanone (CID 130329758) is [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azatricyclo[4.3.0.03,7]nonan-2-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azatricyclo[4.3.0.03,7]nonan-2-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azatricyclo[4.3.0.03,7]nonan-2-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2C3CCC4(COc5ccc(F)cn5)C3CCC24)c1.
What is the InChIKey of [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azatricyclo[4.3.0.03,7]nonan-2-yl]-(3-methylphenyl)methanone?
The InChIKey is OKQGSDXFKVLGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-14-3-2-4-15(11-14)21(26)25-18-9-10-22(17(18)6-7-19(22)25)13-27-20-8-5-16(23)12-24-20/h2-5,8,11-12,17-19H,6-7,9-10,13H2,1H3.
What are the key properties of [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azatricyclo[4.3.0.03,7]nonan-2-yl]-(3-methylphenyl)methanone?
[6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azatricyclo[4.3.0.03,7]nonan-2-yl]-(3-methylphenyl)methanone has a molecular weight of 366.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azatricyclo[4.3.0.03,7]nonan-2-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 130329758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).