8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-[(2-methoxyacetyl)amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

C24H29FN8O3 — CID 68783149

About 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-[(2-methoxyacetyl)amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-[(2-methoxyacetyl)amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 68783149) has the molecular formula C24H29FN8O3 and a molecular weight of 496.55 g/mol. Its IUPAC name is 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-[(2-methoxyacetyl)amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-[(2-methoxyacetyl)amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 68783149
• Molecular Formula: C24H29FN8O3
• Molecular Weight: 496.55 g/mol
• Exact Mass: 496.23
• IUPAC Name: 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-[(2-methoxyacetyl)amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: COCC(=O)NC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1
• InChI: InChI=1S/C24H29FN8O3/c1-36-13-22(34)30-16-6-4-15(5-7-16)29-21-10-19(28-14-2-3-14)23-27-12-20(33(23)32-21)24(35)31-18-8-9-26-11-17(18)25/h8-12,14-16,28H,2-7,13H2,1H3,(H,29,32)(H,30,34)(H,26,31,35)
• InChIKey: DEAUBUADCKCYJC-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 134.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.55
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-[(2-methoxyacetyl)amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-[(2-methoxyacetyl)amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 68783149) is 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-[(2-methoxyacetyl)amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-[(2-methoxyacetyl)amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-[(2-methoxyacetyl)amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is COCC(=O)NC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1.

What is the InChIKey of 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-[(2-methoxyacetyl)amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is DEAUBUADCKCYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN8O3/c1-36-13-22(34)30-16-6-4-15(5-7-16)29-21-10-19(28-14-2-3-14)23-27-12-20(33(23)32-21)24(35)31-18-8-9-26-11-17(18)25/h8-12,14-16,28H,2-7,13H2,1H3,(H,29,32)(H,30,34)(H,26,31,35).

What are the key properties of 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-[(2-methoxyacetyl)amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?

8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-[(2-methoxyacetyl)amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 496.55 g/mol, XLogP of 2.58, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-[(2-methoxyacetyl)amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 68783149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).