N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine

C25H30N4OSi — CID 123679403

About N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine

N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 123679403) has the molecular formula C25H30N4OSi and a molecular weight of 430.63 g/mol. Its IUPAC name is N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

• Compound Name: N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine
• PubChem CID: 123679403
• Molecular Formula: C25H30N4OSi
• Molecular Weight: 430.63 g/mol
• Exact Mass: 430.22
• IUPAC Name: N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine
• SMILES: CC(C)(C)[Si](C)(C)Oc1ccc(-c2cnc3ccc(NCc4ccccc4)nn23)cc1
• InChI: InChI=1S/C25H30N4OSi/c1-25(2,3)31(4,5)30-21-13-11-20(12-14-21)22-18-27-24-16-15-23(28-29(22)24)26-17-19-9-7-6-8-10-19/h6-16,18H,17H2,1-5H3,(H,26,28)
• InChIKey: DQHWJOGBYMMGED-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 51.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.63
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine?

The IUPAC name of N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine (CID 123679403) is N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine.

What is the SMILES notation for N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine?

The canonical SMILES for N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine is CC(C)(C)[Si](C)(C)Oc1ccc(-c2cnc3ccc(NCc4ccccc4)nn23)cc1.

What is the InChIKey of N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine?

The InChIKey is DQHWJOGBYMMGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4OSi/c1-25(2,3)31(4,5)30-21-13-11-20(12-14-21)22-18-27-24-16-15-23(28-29(22)24)26-17-19-9-7-6-8-10-19/h6-16,18H,17H2,1-5H3,(H,26,28).

What are the key properties of N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine?

N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 430.63 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 123679403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).