dimethylamino 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine-2-carboxylate

C24H23FN6O4 — CID 170687620

About dimethylamino 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine-2-carboxylate

dimethylamino 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 170687620) has the molecular formula C24H23FN6O4 and a molecular weight of 478.48 g/mol. Its IUPAC name is dimethylamino 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

• Compound Name: dimethylamino 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine-2-carboxylate
• PubChem CID: 170687620
• Molecular Formula: C24H23FN6O4
• Molecular Weight: 478.48 g/mol
• Exact Mass: 478.18
• IUPAC Name: dimethylamino 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine-2-carboxylate
• SMILES: COc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc(F)cc3)c3nc(C(=O)ON(C)C)cn3n2)c(OC)n1
• InChI: InChI=1S/C24H23FN6O4/c1-30(2)35-23(32)20-12-31-21(27-20)17(16-9-15(16)13-5-7-14(25)8-6-13)10-19(29-31)18-11-26-24(34-4)28-22(18)33-3/h5-8,10-12,15-16H,9H2,1-4H3/t15-,16+/m1/s1
• InChIKey: OAOQSPGGGJXMJV-CVEARBPZSA-N
• XLogP: 3.25
• TPSA: 103.97 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.48
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethylamino 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine-2-carboxylate?

The IUPAC name of dimethylamino 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine-2-carboxylate (CID 170687620) is dimethylamino 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine-2-carboxylate.

What is the SMILES notation for dimethylamino 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine-2-carboxylate?

The canonical SMILES for dimethylamino 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine-2-carboxylate is COc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc(F)cc3)c3nc(C(=O)ON(C)C)cn3n2)c(OC)n1.

What is the InChIKey of dimethylamino 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine-2-carboxylate?

The InChIKey is OAOQSPGGGJXMJV-CVEARBPZSA-N. The full InChI is InChI=1S/C24H23FN6O4/c1-30(2)35-23(32)20-12-31-21(27-20)17(16-9-15(16)13-5-7-14(25)8-6-13)10-19(29-31)18-11-26-24(34-4)28-22(18)33-3/h5-8,10-12,15-16H,9H2,1-4H3/t15-,16+/m1/s1.

What are the key properties of dimethylamino 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine-2-carboxylate?

dimethylamino 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 478.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for dimethylamino 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 170687620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).