N-cyclohexyl-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine

C23H26N4O3S — CID 123690398

About N-cyclohexyl-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine

N-cyclohexyl-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 123690398) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-cyclohexyl-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

• Compound Name: N-cyclohexyl-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
• PubChem CID: 123690398
• Molecular Formula: C23H26N4O3S
• Molecular Weight: 438.55 g/mol
• Exact Mass: 438.17
• IUPAC Name: N-cyclohexyl-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
• SMILES: COc1cc2cc(-c3cnc4ccc(NC5CCCCC5)nn34)sc2c(OC)c1OC
• InChI: InChI=1S/C23H26N4O3S/c1-28-17-11-14-12-18(31-23(14)22(30-3)21(17)29-2)16-13-24-20-10-9-19(26-27(16)20)25-15-7-5-4-6-8-15/h9-13,15H,4-8H2,1-3H3,(H,25,26)
• InChIKey: GEGOARDOIGKJKO-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 69.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.55
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?

The IUPAC name of N-cyclohexyl-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (CID 123690398) is N-cyclohexyl-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.

What is the SMILES notation for N-cyclohexyl-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?

The canonical SMILES for N-cyclohexyl-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is COc1cc2cc(-c3cnc4ccc(NC5CCCCC5)nn34)sc2c(OC)c1OC.

What is the InChIKey of N-cyclohexyl-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?

The InChIKey is GEGOARDOIGKJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-28-17-11-14-12-18(31-23(14)22(30-3)21(17)29-2)16-13-24-20-10-9-19(26-27(16)20)25-15-7-5-4-6-8-15/h9-13,15H,4-8H2,1-3H3,(H,25,26).

What are the key properties of N-cyclohexyl-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?

N-cyclohexyl-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 438.55 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 123690398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).