2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane

C19H23N3OS — CID 131677258

IUPAC2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
SMILESCc1cccc(CN2CC3(CC(OCc4ccccn4)CS3)C2)n1
InChIInChI=1S/C19H23N3OS/c1-15-5-4-7-16(21-15)10-22-13-19(14-22)9-18(12-24-19)23-11-17-6-2-3-8-20-17/h2-8,18H,9-14H2,1H3
InChIKeyJMYURRRRXBNENY-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.06
Rot. Bonds5

About 2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane

2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane (PubChem CID 131677258) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
PubChem CID131677258
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
SMILESCc1cccc(CN2CC3(CC(OCc4ccccn4)CS3)C2)n1
InChIInChI=1S/C19H23N3OS/c1-15-5-4-7-16(21-15)10-22-13-19(14-22)9-18(12-24-19)23-11-17-6-2-3-8-20-17/h2-8,18H,9-14H2,1H3
InChIKeyJMYURRRRXBNENY-UHFFFAOYSA-N
XLogP3.06
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane with MolForge

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Launch Full Analysis

Related Compounds

2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155865776
(7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 124798745
7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 133143009
7-[(6-methyl-2-pyridinyl)methoxy]-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155860683
[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone
CID 124792542
7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131647834
[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone
CID 124792639
[(7R)-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
CID 124916047
pyridin-2-yl-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131677620
2-[(1-ethylpyrazol-4-yl)methyl]-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 171695012
2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131692577
(5-methylfuran-2-yl)-[(7S)-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124798444

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane (CID 131677258) is 2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane is Cc1cccc(CN2CC3(CC(OCc4ccccn4)CS3)C2)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
The InChIKey is JMYURRRRXBNENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-15-5-4-7-16(21-15)10-22-13-19(14-22)9-18(12-24-19)23-11-17-6-2-3-8-20-17/h2-8,18H,9-14H2,1H3.
What are the key properties of 2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane has a molecular weight of 341.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 131677258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).