6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

C26H33FN8O2 — CID 59624709

About 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624709) has the molecular formula C26H33FN8O2 and a molecular weight of 508.60 g/mol. Its IUPAC name is 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 59624709
• Molecular Formula: C26H33FN8O2
• Molecular Weight: 508.60 g/mol
• Exact Mass: 508.27
• IUPAC Name: 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: NCCCC(=O)CC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1
• InChI: InChI=1S/C26H33FN8O2/c27-20-14-29-11-9-21(20)33-26(37)23-15-30-25-22(31-17-7-8-17)13-24(34-35(23)25)32-18-5-3-16(4-6-18)12-19(36)2-1-10-28/h9,11,13-18,31H,1-8,10,12,28H2,(H,32,34)(H,29,33,37)
• InChIKey: PWSYQIVDPALWJQ-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 139.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.60
LogP ≤ 5	3.76
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 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624709) is 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is NCCCC(=O)CC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1.

What is the InChIKey of 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is PWSYQIVDPALWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN8O2/c27-20-14-29-11-9-21(20)33-26(37)23-15-30-25-22(31-17-7-8-17)13-24(34-35(23)25)32-18-5-3-16(4-6-18)12-19(36)2-1-10-28/h9,11,13-18,31H,1-8,10,12,28H2,(H,32,34)(H,29,33,37).

What are the key properties of 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?

6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 508.60 g/mol, XLogP of 3.76, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).