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

C25H26FN9O2S — CID 59624477

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

8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-[2-oxo-2-(thiadiazol-4-yl)ethyl]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624477) has the molecular formula C25H26FN9O2S and a molecular weight of 535.61 g/mol. Its IUPAC name is 8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-[2-oxo-2-(thiadiazol-4-yl)ethyl]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-[2-oxo-2-(thiadiazol-4-yl)ethyl]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 59624477
• Molecular Formula: C25H26FN9O2S
• Molecular Weight: 535.61 g/mol
• Exact Mass: 535.19
• IUPAC Name: 8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-[2-oxo-2-(thiadiazol-4-yl)ethyl]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: O=C(CC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccnc(F)c4)n3n2)CC1)c1csnn1
• InChI: InChI=1S/C25H26FN9O2S/c26-22-10-17(7-8-27-22)31-25(37)20-12-28-24-18(29-15-5-6-15)11-23(33-35(20)24)30-16-3-1-14(2-4-16)9-21(36)19-13-38-34-32-19/h7-8,10-16,29H,1-6,9H2,(H,30,33)(H,27,31,37)
• InChIKey: JLXJLMHACZUZFV-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 139.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.61
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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-[2-oxo-2-(thiadiazol-4-yl)ethyl]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-[2-oxo-2-(thiadiazol-4-yl)ethyl]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624477) is 8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-[2-oxo-2-(thiadiazol-4-yl)ethyl]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

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

The canonical SMILES for 8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-[2-oxo-2-(thiadiazol-4-yl)ethyl]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is O=C(CC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccnc(F)c4)n3n2)CC1)c1csnn1.

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

The InChIKey is JLXJLMHACZUZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN9O2S/c26-22-10-17(7-8-27-22)31-25(37)20-12-28-24-18(29-15-5-6-15)11-23(33-35(20)24)30-16-3-1-14(2-4-16)9-21(36)19-13-38-34-32-19/h7-8,10-16,29H,1-6,9H2,(H,30,33)(H,27,31,37).

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

8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-[2-oxo-2-(thiadiazol-4-yl)ethyl]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 535.61 g/mol, XLogP of 4.19, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-[2-oxo-2-(thiadiazol-4-yl)ethyl]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).