(5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one

C22H23FN2O2 — CID 58237246

IUPAC(5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one
SMILESO=C(C[C@H]1CCC[C@]2(CCN(c3cccc(F)c3)C2=O)C1)c1ccncc1
InChIInChI=1S/C22H23FN2O2/c23-18-4-1-5-19(14-18)25-12-9-22(21(25)27)8-2-3-16(15-22)13-20(26)17-6-10-24-11-7-17/h1,4-7,10-11,14,16H,2-3,8-9,12-13,15H2/t16-,22+/m1/s1
InChIKeyPGNIUQIQXUYVBL-ZHRRBRCNSA-N
MW366.44 g/mol
LogP4.41
Rot. Bonds4

About (5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one

(5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 58237246) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is (5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one
PubChem CID58237246
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name(5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one
SMILESO=C(C[C@H]1CCC[C@]2(CCN(c3cccc(F)c3)C2=O)C1)c1ccncc1
InChIInChI=1S/C22H23FN2O2/c23-18-4-1-5-19(14-18)25-12-9-22(21(25)27)8-2-3-16(15-22)13-20(26)17-6-10-24-11-7-17/h1,4-7,10-11,14,16H,2-3,8-9,12-13,15H2/t16-,22+/m1/s1
InChIKeyPGNIUQIQXUYVBL-ZHRRBRCNSA-N
XLogP4.41
TPSA50.27 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 ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of (5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one (CID 58237246) is (5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for (5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one is O=C(C[C@H]1CCC[C@]2(CCN(c3cccc(F)c3)C2=O)C1)c1ccncc1.
What is the InChIKey of (5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is PGNIUQIQXUYVBL-ZHRRBRCNSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-18-4-1-5-19(14-18)25-12-9-22(21(25)27)8-2-3-16(15-22)13-20(26)17-6-10-24-11-7-17/h1,4-7,10-11,14,16H,2-3,8-9,12-13,15H2/t16-,22+/m1/s1.
What are the key properties of (5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one?
(5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 366.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58237246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).