2-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

C19H15N7OS — CID 91818136

About 2-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 91818136) has the molecular formula C19H15N7OS and a molecular weight of 389.44 g/mol. Its IUPAC name is 2-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 91818136
• Molecular Formula: C19H15N7OS
• Molecular Weight: 389.44 g/mol
• Exact Mass: 389.11
• IUPAC Name: 2-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1nc2ccccn2c1C(=O)NCc1nnc2ccc(-c3cccs3)nn12
• InChI: InChI=1S/C19H15N7OS/c1-12-18(25-9-3-2-6-15(25)21-12)19(27)20-11-17-23-22-16-8-7-13(24-26(16)17)14-5-4-10-28-14/h2-10H,11H2,1H3,(H,20,27)
• InChIKey: OYWDAKFALBHUCL-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 89.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.44
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 2-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 91818136) is 2-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 2-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)NCc1nnc2ccc(-c3cccs3)nn12.

What is the InChIKey of 2-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is OYWDAKFALBHUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7OS/c1-12-18(25-9-3-2-6-15(25)21-12)19(27)20-11-17-23-22-16-8-7-13(24-26(16)17)14-5-4-10-28-14/h2-10H,11H2,1H3,(H,20,27).

What are the key properties of 2-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?

2-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 91818136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).