1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C20H17ClN6OS — CID 4828062

About 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 4828062) has the molecular formula C20H17ClN6OS and a molecular weight of 424.92 g/mol. Its IUPAC name is 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

• Compound Name: 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
• PubChem CID: 4828062
• Molecular Formula: C20H17ClN6OS
• Molecular Weight: 424.92 g/mol
• Exact Mass: 424.09
• IUPAC Name: 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
• SMILES: CCCn1c(=O)c2ccccc2n2c(SCc3cn4cc(Cl)ccc4n3)nnc12
• InChI: InChI=1S/C20H17ClN6OS/c1-2-9-26-18(28)15-5-3-4-6-16(15)27-19(26)23-24-20(27)29-12-14-11-25-10-13(21)7-8-17(25)22-14/h3-8,10-11H,2,9,12H2,1H3
• InChIKey: XBERWVOHRVWFAC-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 69.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.92
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?

The IUPAC name of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 4828062) is 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

What is the SMILES notation for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?

The canonical SMILES for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CCCn1c(=O)c2ccccc2n2c(SCc3cn4cc(Cl)ccc4n3)nnc12.

What is the InChIKey of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?

The InChIKey is XBERWVOHRVWFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6OS/c1-2-9-26-18(28)15-5-3-4-6-16(15)27-19(26)23-24-20(27)29-12-14-11-25-10-13(21)7-8-17(25)22-14/h3-8,10-11H,2,9,12H2,1H3.

What are the key properties of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?

1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 424.92 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 4828062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).