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

C27H33FN8O2 — CID 59624390

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

8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624390) has the molecular formula C27H33FN8O2 and a molecular weight of 520.61 g/mol. Its IUPAC name is 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 59624390
• Molecular Formula: C27H33FN8O2
• Molecular Weight: 520.61 g/mol
• Exact Mass: 520.27
• IUPAC Name: 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: O=C(Nc1ccncc1F)c1cnc2c(NC3CC3)cc(NC3CCC(CC(=O)N4CCCC4)CC3)nn12
• InChI: InChI=1S/C27H33FN8O2/c28-20-15-29-10-9-21(20)33-27(38)23-16-30-26-22(31-18-7-8-18)14-24(34-36(23)26)32-19-5-3-17(4-6-19)13-25(37)35-11-1-2-12-35/h9-10,14-19,31H,1-8,11-13H2,(H,32,34)(H,29,33,38)
• InChIKey: HQOZMZAROIRORX-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 116.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.61
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624390) is 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)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-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is O=C(Nc1ccncc1F)c1cnc2c(NC3CC3)cc(NC3CCC(CC(=O)N4CCCC4)CC3)nn12.

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

The InChIKey is HQOZMZAROIRORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN8O2/c28-20-15-29-10-9-21(20)33-27(38)23-16-30-26-22(31-18-7-8-18)14-24(34-36(23)26)32-19-5-3-17(4-6-19)13-25(37)35-11-1-2-12-35/h9-10,14-19,31H,1-8,11-13H2,(H,32,34)(H,29,33,38).

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

8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 520.61 g/mol, XLogP of 4.07, 8 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-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).