[(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone

C24H23FN4O3 — CID 110148969

IUPAC[(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
SMILESO=C(c1cccc(-c2cncnc2)n1)N1CCC[C@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1
InChIInChI=1S/C24H23FN4O3/c25-18-4-1-5-19(10-18)32-20-11-24(31-14-20)8-3-9-29(15-24)23(30)22-7-2-6-21(28-22)17-12-26-16-27-13-17/h1-2,4-7,10,12-13,16,20H,3,8-9,11,14-15H2/t20-,24+/m1/s1
InChIKeyRIPKWTNJUAPPGL-YKSBVNFPSA-N
MW434.47 g/mol
LogP3.52
Rot. Bonds4

About [(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone

[(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (PubChem CID 110148969) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is [(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
PubChem CID110148969
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name[(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
SMILESO=C(c1cccc(-c2cncnc2)n1)N1CCC[C@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1
InChIInChI=1S/C24H23FN4O3/c25-18-4-1-5-19(10-18)32-20-11-24(31-14-20)8-3-9-29(15-24)23(30)22-7-2-6-21(28-22)17-12-26-16-27-13-17/h1-2,4-7,10,12-13,16,20H,3,8-9,11,14-15H2/t20-,24+/m1/s1
InChIKeyRIPKWTNJUAPPGL-YKSBVNFPSA-N
XLogP3.52
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone
CID 110142206
[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 155986963
[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 110141985
pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97371619
[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 110141838
pyridin-4-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97409097
pyridin-4-yl-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97409098
pyridin-3-yl-(3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 134071304
N-[(2R)-2-fluoro-1-[(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-1-oxo-3-phenylpropan-2-yl]acetamide
CID 129458138
[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridazin-3-ylmethanone
CID 110138846
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110142172
furan-3-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97488964

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?
The IUPAC name of [(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (CID 110148969) is [(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.
What is the SMILES notation for [(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?
The canonical SMILES for [(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone is O=C(c1cccc(-c2cncnc2)n1)N1CCC[C@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1.
What is the InChIKey of [(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?
The InChIKey is RIPKWTNJUAPPGL-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H23FN4O3/c25-18-4-1-5-19(10-18)32-20-11-24(31-14-20)8-3-9-29(15-24)23(30)22-7-2-6-21(28-22)17-12-26-16-27-13-17/h1-2,4-7,10,12-13,16,20H,3,8-9,11,14-15H2/t20-,24+/m1/s1.
What are the key properties of [(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?
[(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone has a molecular weight of 434.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone is sourced from PubChem (CID 110148969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).