2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

C22H18N6OS — CID 35707164

About 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (PubChem CID 35707164) has the molecular formula C22H18N6OS and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
• PubChem CID: 35707164
• Molecular Formula: C22H18N6OS
• Molecular Weight: 414.49 g/mol
• Exact Mass: 414.13
• IUPAC Name: 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
• SMILES: O=C(NCc1nnc2ccccn12)c1ccccc1SCc1cn2ccccc2n1
• InChI: InChI=1S/C22H18N6OS/c29-22(23-13-21-26-25-20-10-4-6-12-28(20)21)17-7-1-2-8-18(17)30-15-16-14-27-11-5-3-9-19(27)24-16/h1-12,14H,13,15H2,(H,23,29)
• InChIKey: QBAMPTGQIDZYBW-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 76.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.49
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?

The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (CID 35707164) is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.

What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?

The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is O=C(NCc1nnc2ccccn12)c1ccccc1SCc1cn2ccccc2n1.

What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?

The InChIKey is QBAMPTGQIDZYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6OS/c29-22(23-13-21-26-25-20-10-4-6-12-28(20)21)17-7-1-2-8-18(17)30-15-16-14-27-11-5-3-9-19(27)24-16/h1-12,14H,13,15H2,(H,23,29).

What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 414.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 35707164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).