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

C26H32FN7O2 — CID 59624326

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

8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(3-methyl-2-oxobutyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624326) has the molecular formula C26H32FN7O2 and a molecular weight of 493.59 g/mol. Its IUPAC name is 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(3-methyl-2-oxobutyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(3-methyl-2-oxobutyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 59624326
• Molecular Formula: C26H32FN7O2
• Molecular Weight: 493.59 g/mol
• Exact Mass: 493.26
• IUPAC Name: 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(3-methyl-2-oxobutyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CC(C)C(=O)CC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1
• InChI: InChI=1S/C26H32FN7O2/c1-15(2)23(35)11-16-3-5-18(6-4-16)31-24-12-21(30-17-7-8-17)25-29-14-22(34(25)33-24)26(36)32-20-9-10-28-13-19(20)27/h9-10,12-18,30H,3-8,11H2,1-2H3,(H,31,33)(H,28,32,36)
• InChIKey: INQUBGWFMDDCGN-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 113.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.59
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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-(3-methyl-2-oxobutyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(3-methyl-2-oxobutyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624326) is 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(3-methyl-2-oxobutyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

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

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

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

The InChIKey is INQUBGWFMDDCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O2/c1-15(2)23(35)11-16-3-5-18(6-4-16)31-24-12-21(30-17-7-8-17)25-29-14-22(34(25)33-24)26(36)32-20-9-10-28-13-19(20)27/h9-10,12-18,30H,3-8,11H2,1-2H3,(H,31,33)(H,28,32,36).

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

8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(3-methyl-2-oxobutyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 4.68, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(3-methyl-2-oxobutyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).