pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone

C17H17N3O2S — CID 131678193

IUPACpyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
SMILESO=C(c1cccnc1)N1CC2(CC(Oc3cccnc3)CS2)C1
InChIInChI=1S/C17H17N3O2S/c21-16(13-3-1-5-18-8-13)20-11-17(12-20)7-15(10-23-17)22-14-4-2-6-19-9-14/h1-6,8-9,15H,7,10-12H2
InChIKeyFWWLCTJOBHNJOK-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.26
Rot. Bonds3

About pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone

pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone (PubChem CID 131678193) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

Compound Namepyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
PubChem CID131678193
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Namepyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
SMILESO=C(c1cccnc1)N1CC2(CC(Oc3cccnc3)CS2)C1
InChIInChI=1S/C17H17N3O2S/c21-16(13-3-1-5-18-8-13)20-11-17(12-20)7-15(10-23-17)22-14-4-2-6-19-9-14/h1-6,8-9,15H,7,10-12H2
InChIKeyFWWLCTJOBHNJOK-UHFFFAOYSA-N
XLogP2.26
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131677755
(4-fluorophenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155859569
1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124788196
(5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124913264
(1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131663043
(3-chlorophenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155860663
(4-methyl-1,3-oxazol-5-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 133142855
(6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124814780
2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124804618
[(7R)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
CID 124787822
(2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131648810
2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124790921

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
The IUPAC name of pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone (CID 131678193) is pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone.
What is the SMILES notation for pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
The canonical SMILES for pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone is O=C(c1cccnc1)N1CC2(CC(Oc3cccnc3)CS2)C1.
What is the InChIKey of pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
The InChIKey is FWWLCTJOBHNJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-16(13-3-1-5-18-8-13)20-11-17(12-20)7-15(10-23-17)22-14-4-2-6-19-9-14/h1-6,8-9,15H,7,10-12H2.
What are the key properties of pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone has a molecular weight of 327.41 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 131678193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).