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

C27H34FN7O2 — CID 59624344

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

8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-(4-methyl-2-oxopentyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624344) has the molecular formula C27H34FN7O2 and a molecular weight of 507.61 g/mol. Its IUPAC name is 8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-(4-methyl-2-oxopentyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-(4-methyl-2-oxopentyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 59624344
• Molecular Formula: C27H34FN7O2
• Molecular Weight: 507.61 g/mol
• Exact Mass: 507.28
• IUPAC Name: 8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-(4-methyl-2-oxopentyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CC(C)CC(=O)CC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccnc(F)c4)n3n2)CC1
• InChI: InChI=1S/C27H34FN7O2/c1-16(2)11-21(36)12-17-3-5-19(6-4-17)32-25-14-22(31-18-7-8-18)26-30-15-23(35(26)34-25)27(37)33-20-9-10-29-24(28)13-20/h9-10,13-19,31H,3-8,11-12H2,1-2H3,(H,32,34)(H,29,33,37)
• InChIKey: BXGZOSHQYJDXBO-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 113.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.61
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-(4-methyl-2-oxopentyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624344) is 8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-(4-methyl-2-oxopentyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

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

The canonical SMILES for 8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-(4-methyl-2-oxopentyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is CC(C)CC(=O)CC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccnc(F)c4)n3n2)CC1.

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

The InChIKey is BXGZOSHQYJDXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN7O2/c1-16(2)11-21(36)12-17-3-5-19(6-4-17)32-25-14-22(31-18-7-8-18)26-30-15-23(35(26)34-25)27(37)33-20-9-10-29-24(28)13-20/h9-10,13-19,31H,3-8,11-12H2,1-2H3,(H,32,34)(H,29,33,37).

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

8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-(4-methyl-2-oxopentyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 507.61 g/mol, XLogP of 5.07, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-(4-methyl-2-oxopentyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).