1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C27H24N6OS — CID 112784974

About 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 112784974) has the molecular formula C27H24N6OS and a molecular weight of 480.60 g/mol. Its IUPAC name is 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

• Compound Name: 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
• PubChem CID: 112784974
• Molecular Formula: C27H24N6OS
• Molecular Weight: 480.60 g/mol
• Exact Mass: 480.17
• IUPAC Name: 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
• SMILES: Cc1cccn2cc(CSc3nnc4n(-c5ccccc5C(C)C)c(=O)c5ccccc5n34)nc12
• InChI: InChI=1S/C27H24N6OS/c1-17(2)20-10-4-6-12-22(20)32-25(34)21-11-5-7-13-23(21)33-26(32)29-30-27(33)35-16-19-15-31-14-8-9-18(3)24(31)28-19/h4-15,17H,16H2,1-3H3
• InChIKey: YUBNIYHWCLSZIG-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 69.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.60
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?

The IUPAC name of 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 112784974) is 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

What is the SMILES notation for 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?

The canonical SMILES for 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is Cc1cccn2cc(CSc3nnc4n(-c5ccccc5C(C)C)c(=O)c5ccccc5n34)nc12.

What is the InChIKey of 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?

The InChIKey is YUBNIYHWCLSZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6OS/c1-17(2)20-10-4-6-12-22(20)32-25(34)21-11-5-7-13-23(21)33-26(32)29-30-27(33)35-16-19-15-31-14-8-9-18(3)24(31)28-19/h4-15,17H,16H2,1-3H3.

What are the key properties of 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?

1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 480.60 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 112784974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).