1-[5-ethyl-6-(1-ethyl-3-methylpyrazol-4-yl)-2-pyridinyl]-N-(6-methylpyridazin-3-yl)benzimidazol-5-amine

C25H26N8 — CID 168992042

About 1-[5-ethyl-6-(1-ethyl-3-methylpyrazol-4-yl)-2-pyridinyl]-N-(6-methylpyridazin-3-yl)benzimidazol-5-amine

1-[5-ethyl-6-(1-ethyl-3-methylpyrazol-4-yl)-2-pyridinyl]-N-(6-methylpyridazin-3-yl)benzimidazol-5-amine (PubChem CID 168992042) has the molecular formula C25H26N8 and a molecular weight of 438.54 g/mol. Its IUPAC name is 1-[5-ethyl-6-(1-ethyl-3-methylpyrazol-4-yl)-2-pyridinyl]-N-(6-methylpyridazin-3-yl)benzimidazol-5-amine.

Molecular Properties

• Compound Name: 1-[5-ethyl-6-(1-ethyl-3-methylpyrazol-4-yl)-2-pyridinyl]-N-(6-methylpyridazin-3-yl)benzimidazol-5-amine
• PubChem CID: 168992042
• Molecular Formula: C25H26N8
• Molecular Weight: 438.54 g/mol
• Exact Mass: 438.23
• IUPAC Name: 1-[5-ethyl-6-(1-ethyl-3-methylpyrazol-4-yl)-2-pyridinyl]-N-(6-methylpyridazin-3-yl)benzimidazol-5-amine
• SMILES: CCc1ccc(-n2cnc3cc(Nc4ccc(C)nn4)ccc32)nc1-c1cn(CC)nc1C
• InChI: InChI=1S/C25H26N8/c1-5-18-8-12-24(28-25(18)20-14-32(6-2)31-17(20)4)33-15-26-21-13-19(9-10-22(21)33)27-23-11-7-16(3)29-30-23/h7-15H,5-6H2,1-4H3,(H,27,30)
• InChIKey: LOYHNDMZSTZHRA-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 86.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.54
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-6-(1-ethyl-3-methylpyrazol-4-yl)-2-pyridinyl]-N-(6-methylpyridazin-3-yl)benzimidazol-5-amine?

The IUPAC name of 1-[5-ethyl-6-(1-ethyl-3-methylpyrazol-4-yl)-2-pyridinyl]-N-(6-methylpyridazin-3-yl)benzimidazol-5-amine (CID 168992042) is 1-[5-ethyl-6-(1-ethyl-3-methylpyrazol-4-yl)-2-pyridinyl]-N-(6-methylpyridazin-3-yl)benzimidazol-5-amine.

What is the SMILES notation for 1-[5-ethyl-6-(1-ethyl-3-methylpyrazol-4-yl)-2-pyridinyl]-N-(6-methylpyridazin-3-yl)benzimidazol-5-amine?

The canonical SMILES for 1-[5-ethyl-6-(1-ethyl-3-methylpyrazol-4-yl)-2-pyridinyl]-N-(6-methylpyridazin-3-yl)benzimidazol-5-amine is CCc1ccc(-n2cnc3cc(Nc4ccc(C)nn4)ccc32)nc1-c1cn(CC)nc1C.

What is the InChIKey of 1-[5-ethyl-6-(1-ethyl-3-methylpyrazol-4-yl)-2-pyridinyl]-N-(6-methylpyridazin-3-yl)benzimidazol-5-amine?

The InChIKey is LOYHNDMZSTZHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8/c1-5-18-8-12-24(28-25(18)20-14-32(6-2)31-17(20)4)33-15-26-21-13-19(9-10-22(21)33)27-23-11-7-16(3)29-30-23/h7-15H,5-6H2,1-4H3,(H,27,30).

What are the key properties of 1-[5-ethyl-6-(1-ethyl-3-methylpyrazol-4-yl)-2-pyridinyl]-N-(6-methylpyridazin-3-yl)benzimidazol-5-amine?

1-[5-ethyl-6-(1-ethyl-3-methylpyrazol-4-yl)-2-pyridinyl]-N-(6-methylpyridazin-3-yl)benzimidazol-5-amine has a molecular weight of 438.54 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-ethyl-6-(1-ethyl-3-methylpyrazol-4-yl)-2-pyridinyl]-N-(6-methylpyridazin-3-yl)benzimidazol-5-amine is sourced from PubChem (CID 168992042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).