7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one

C20H20N8O2 — CID 172691208

About 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one

7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one (PubChem CID 172691208) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one.

Molecular Properties

• Compound Name: 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one
• PubChem CID: 172691208
• Molecular Formula: C20H20N8O2
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.17
• IUPAC Name: 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one
• SMILES: Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CC3(CC(=O)C3)C1)c(=O)n2C
• InChI: InChI=1S/C20H20N8O2/c1-11-3-16-22-10-23-27(16)9-14(11)24-18-21-8-15-17(25-18)28(19(30)26(15)2)12-4-20(5-12)6-13(29)7-20/h3,8-10,12H,4-7H2,1-2H3,(H,21,24,25)
• InChIKey: BRXIAFIQVNQABI-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 112.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one?

The IUPAC name of 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one (CID 172691208) is 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one.

What is the SMILES notation for 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one?

The canonical SMILES for 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one is Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CC3(CC(=O)C3)C1)c(=O)n2C.

What is the InChIKey of 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one?

The InChIKey is BRXIAFIQVNQABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-11-3-16-22-10-23-27(16)9-14(11)24-18-21-8-15-17(25-18)28(19(30)26(15)2)12-4-20(5-12)6-13(29)7-20/h3,8-10,12H,4-7H2,1-2H3,(H,21,24,25).

What are the key properties of 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one?

7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one has a molecular weight of 404.43 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(2-oxospiro[3.3]heptan-6-yl)purin-8-one is sourced from PubChem (CID 172691208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).