7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C₁₉H₁₈FN₇OS — CID 156888683

About 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 156888683) has the molecular formula C₁₉H₁₈FN₇OS and a molecular weight of 411.47 g/mol. Its IUPAC name is 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 156888683
• Molecular Formula: C₁₉H₁₈FN₇OS
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.13
• IUPAC Name: 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• SMILES: Cc1cn2cc(-c3nn4c(=O)cc(N5CCNC6(CC6)C5)nc4s3)cc(F)c2n1
• InChI: InChI=1S/C19H18FN7OS/c1-11-8-26-9-12(6-13(20)16(26)22-11)17-24-27-15(28)7-14(23-18(27)29-17)25-5-4-21-19(10-25)2-3-19/h6-9,21H,2-5,10H2,1H3
• InChIKey: NYDJWJTZVUWYMI-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 79.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 156888683) is 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cn2cc(-c3nn4c(=O)cc(N5CCNC6(CC6)C5)nc4s3)cc(F)c2n1.

What is the InChIKey of 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is NYDJWJTZVUWYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7OS/c1-11-8-26-9-12(6-13(20)16(26)22-11)17-24-27-15(28)7-14(23-18(27)29-17)25-5-4-21-19(10-25)2-3-19/h6-9,21H,2-5,10H2,1H3.

What are the key properties of 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 411.47 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 156888683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156888683 — identifiers, structure, computed properties (public domain)

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