N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

C24H32N6O3 — CID 66691900

About N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (PubChem CID 66691900) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
• PubChem CID: 66691900
• Molecular Formula: C24H32N6O3
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.25
• IUPAC Name: N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
• SMILES: COCCNc1cc(NCC(C)(C)O)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1
• InChI: InChI=1S/C24H32N6O3/c1-15-11-16(5-8-18(15)23(31)28-17-6-7-17)20-13-26-22-19(27-14-24(2,3)32)12-21(29-30(20)22)25-9-10-33-4/h5,8,11-13,17,27,32H,6-7,9-10,14H2,1-4H3,(H,25,29)(H,28,31)
• InChIKey: DDIULEMVBZVVOA-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 112.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

The IUPAC name of N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (CID 66691900) is N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

What is the SMILES notation for N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

The canonical SMILES for N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is COCCNc1cc(NCC(C)(C)O)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1.

What is the InChIKey of N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

The InChIKey is DDIULEMVBZVVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-15-11-16(5-8-18(15)23(31)28-17-6-7-17)20-13-26-22-19(27-14-24(2,3)32)12-21(29-30(20)22)25-9-10-33-4/h5,8,11-13,17,27,32H,6-7,9-10,14H2,1-4H3,(H,25,29)(H,28,31).

What are the key properties of N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide has a molecular weight of 452.56 g/mol, XLogP of 2.84, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 66691900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).