3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine

C26H35N5O2 — CID 68855507

About 3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine

3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine (PubChem CID 68855507) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
• PubChem CID: 68855507
• Molecular Formula: C26H35N5O2
• Molecular Weight: 449.60 g/mol
• Exact Mass: 449.28
• IUPAC Name: 3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
• SMILES: CCOC(OCC)c1cccn2c(-c3c(C)nc4c(C(CC)CC)cc(C)nn34)c(C)nc12
• InChI: InChI=1S/C26H35N5O2/c1-8-19(9-2)21-15-16(5)29-31-23(18(7)28-25(21)31)22-17(6)27-24-20(13-12-14-30(22)24)26(32-10-3)33-11-4/h12-15,19,26H,8-11H2,1-7H3
• InChIKey: YMCIXRANRMDWMF-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 65.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine?

The IUPAC name of 3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine (CID 68855507) is 3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine.

What is the SMILES notation for 3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine?

The canonical SMILES for 3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine is CCOC(OCC)c1cccn2c(-c3c(C)nc4c(C(CC)CC)cc(C)nn34)c(C)nc12.

What is the InChIKey of 3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine?

The InChIKey is YMCIXRANRMDWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-8-19(9-2)21-15-16(5)29-31-23(18(7)28-25(21)31)22-17(6)27-24-20(13-12-14-30(22)24)26(32-10-3)33-11-4/h12-15,19,26H,8-11H2,1-7H3.

What are the key properties of 3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine?

3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine has a molecular weight of 449.60 g/mol, XLogP of 5.94, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 68855507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).