4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine

C29H30N8O — CID 155545902

About 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine

4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine (PubChem CID 155545902) has the molecular formula C29H30N8O and a molecular weight of 506.61 g/mol. Its IUPAC name is 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine.

Molecular Properties

• Compound Name: 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
• PubChem CID: 155545902
• Molecular Formula: C29H30N8O
• Molecular Weight: 506.61 g/mol
• Exact Mass: 506.25
• IUPAC Name: 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
• SMILES: c1ccc2nc(Cc3nc4c(N5CCOCC5)ccnn4c3-c3ccc(N4CCNCC4)nc3)ccc2c1
• InChI: InChI=1S/C29H30N8O/c1-2-4-24-21(3-1)5-7-23(33-24)19-25-28(22-6-8-27(31-20-22)36-13-11-30-12-14-36)37-29(34-25)26(9-10-32-37)35-15-17-38-18-16-35/h1-10,20,30H,11-19H2
• InChIKey: BAGYXTZKUJKQAR-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 83.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.61
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?

The IUPAC name of 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine (CID 155545902) is 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine.

What is the SMILES notation for 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?

The canonical SMILES for 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine is c1ccc2nc(Cc3nc4c(N5CCOCC5)ccnn4c3-c3ccc(N4CCNCC4)nc3)ccc2c1.

What is the InChIKey of 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?

The InChIKey is BAGYXTZKUJKQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O/c1-2-4-24-21(3-1)5-7-23(33-24)19-25-28(22-6-8-27(31-20-22)36-13-11-30-12-14-36)37-29(34-25)26(9-10-32-37)35-15-17-38-18-16-35/h1-10,20,30H,11-19H2.

What are the key properties of 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?

4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine has a molecular weight of 506.61 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine is sourced from PubChem (CID 155545902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).