N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide

C26H20N6O2S — CID 108810627

About N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide

N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 108810627) has the molecular formula C26H20N6O2S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
• PubChem CID: 108810627
• Molecular Formula: C26H20N6O2S
• Molecular Weight: 480.55 g/mol
• Exact Mass: 480.14
• IUPAC Name: N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
• SMILES: COc1ccc2nc(-n3nc(C)cc3NC(=O)c3ccn4cc(-c5ccccc5)nc4c3)sc2c1
• InChI: InChI=1S/C26H20N6O2S/c1-16-12-24(32(30-16)26-28-20-9-8-19(34-2)14-22(20)35-26)29-25(33)18-10-11-31-15-21(27-23(31)13-18)17-6-4-3-5-7-17/h3-15H,1-2H3,(H,29,33)
• InChIKey: KHYDRZBZNPWWBI-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 86.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.55
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?

The IUPAC name of N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide (CID 108810627) is N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide.

What is the SMILES notation for N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?

The canonical SMILES for N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide is COc1ccc2nc(-n3nc(C)cc3NC(=O)c3ccn4cc(-c5ccccc5)nc4c3)sc2c1.

What is the InChIKey of N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?

The InChIKey is KHYDRZBZNPWWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O2S/c1-16-12-24(32(30-16)26-28-20-9-8-19(34-2)14-22(20)35-26)29-25(33)18-10-11-31-15-21(27-23(31)13-18)17-6-4-3-5-7-17/h3-15H,1-2H3,(H,29,33).

What are the key properties of N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?

N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 108810627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).