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

C16H18N4O2S — CID 131663043

IUPAC(1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
SMILESCn1ccc(C(=O)N2CC3(CC(Oc4cccnc4)CS3)C2)n1
InChIInChI=1S/C16H18N4O2S/c1-19-6-4-14(18-19)15(21)20-10-16(11-20)7-13(9-23-16)22-12-3-2-5-17-8-12/h2-6,8,13H,7,9-11H2,1H3
InChIKeyCRGDGXAYUDGBCF-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.59
Rot. Bonds3

About (1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone

(1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone (PubChem CID 131663043) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
PubChem CID131663043
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name(1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
SMILESCn1ccc(C(=O)N2CC3(CC(Oc4cccnc4)CS3)C2)n1
InChIInChI=1S/C16H18N4O2S/c1-19-6-4-14(18-19)15(21)20-10-16(11-20)7-13(9-23-16)22-12-3-2-5-17-8-12/h2-6,8,13H,7,9-11H2,1H3
InChIKeyCRGDGXAYUDGBCF-UHFFFAOYSA-N
XLogP1.59
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone with MolForge

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Related Compounds

(5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124913264
[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone
CID 133141279
(6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124814780
pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131678193
1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124788196
2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131677489
(3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131677755
2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124804618
(2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131648810
(4-methyl-1,3-oxazol-5-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 133142855
2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124790921
(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-quinolin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155826836

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone (CID 131663043) is (1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone is Cn1ccc(C(=O)N2CC3(CC(Oc4cccnc4)CS3)C2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
The InChIKey is CRGDGXAYUDGBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-19-6-4-14(18-19)15(21)20-10-16(11-20)7-13(9-23-16)22-12-3-2-5-17-8-12/h2-6,8,13H,7,9-11H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
(1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone has a molecular weight of 330.41 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 131663043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).