5-[7-[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-(1-ethylimidazol-4-yl)-1,8-naphthyridine

C34H34N8 — CID 162389388

About 5-[7-[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-(1-ethylimidazol-4-yl)-1,8-naphthyridine

5-[7-[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-(1-ethylimidazol-4-yl)-1,8-naphthyridine (PubChem CID 162389388) has the molecular formula C34H34N8 and a molecular weight of 554.70 g/mol. Its IUPAC name is 5-[7-[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-(1-ethylimidazol-4-yl)-1,8-naphthyridine.

Molecular Properties

• Compound Name: 5-[7-[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-(1-ethylimidazol-4-yl)-1,8-naphthyridine
• PubChem CID: 162389388
• Molecular Formula: C34H34N8
• Molecular Weight: 554.70 g/mol
• Exact Mass: 554.29
• IUPAC Name: 5-[7-[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-(1-ethylimidazol-4-yl)-1,8-naphthyridine
• SMILES: CCn1cnc(-c2ccc3c(-c4cnc5cc(-c6ccc(CN7CC8CCC7CC8)cc6)c(C)nn45)ccnc3n2)c1
• InChI: InChI=1S/C34H34N8/c1-3-40-20-31(37-21-40)30-13-12-28-27(14-15-35-34(28)38-30)32-17-36-33-16-29(22(2)39-42(32)33)25-8-4-23(5-9-25)18-41-19-24-6-10-26(41)11-7-24/h4-5,8-9,12-17,20-21,24,26H,3,6-7,10-11,18-19H2,1-2H3
• InChIKey: CVMPBMOVNONXKD-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 77.03 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.70
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[7-[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-(1-ethylimidazol-4-yl)-1,8-naphthyridine?

The IUPAC name of 5-[7-[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-(1-ethylimidazol-4-yl)-1,8-naphthyridine (CID 162389388) is 5-[7-[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-(1-ethylimidazol-4-yl)-1,8-naphthyridine.

What is the SMILES notation for 5-[7-[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-(1-ethylimidazol-4-yl)-1,8-naphthyridine?

The canonical SMILES for 5-[7-[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-(1-ethylimidazol-4-yl)-1,8-naphthyridine is CCn1cnc(-c2ccc3c(-c4cnc5cc(-c6ccc(CN7CC8CCC7CC8)cc6)c(C)nn45)ccnc3n2)c1.

What is the InChIKey of 5-[7-[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-(1-ethylimidazol-4-yl)-1,8-naphthyridine?

The InChIKey is CVMPBMOVNONXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N8/c1-3-40-20-31(37-21-40)30-13-12-28-27(14-15-35-34(28)38-30)32-17-36-33-16-29(22(2)39-42(32)33)25-8-4-23(5-9-25)18-41-19-24-6-10-26(41)11-7-24/h4-5,8-9,12-17,20-21,24,26H,3,6-7,10-11,18-19H2,1-2H3.

What are the key properties of 5-[7-[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-(1-ethylimidazol-4-yl)-1,8-naphthyridine?

5-[7-[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-(1-ethylimidazol-4-yl)-1,8-naphthyridine has a molecular weight of 554.70 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[4-(2-azabicyclo[2.2.2]octan-2-ylmethyl)phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-(1-ethylimidazol-4-yl)-1,8-naphthyridine is sourced from PubChem (CID 162389388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).