Potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride

C₈₀H₈₁F₄KN₁₈O₈ — CID 157210905

About Potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride

Potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride (PubChem CID 157210905) has the molecular formula C₈₀H₈₁F₄KN₁₈O₈ and a molecular weight of 1537.74 g/mol. Its IUPAC name is potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride.

Molecular Properties

• Compound Name: Potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride
• PubChem CID: 157210905
• Molecular Formula: C₈₀H₈₁F₄KN₁₈O₈
• Molecular Weight: 1537.74 g/mol
• Exact Mass: 1536.61
• IUPAC Name: potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride
• SMILES: Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(F)n4)n3n2)c1.O=C1CCC(N2C[C@H](c3ccc(CN4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)cc3)OC2=O)C(=O)N1.O=C1CCC(N2C[C@H](c3ccc(CN4CCNCC4)cc3)OC2=O)C(=O)N1.[F-].[K+]
• InChI: InChI=1S/C40H40FN9O4.C21H17F2N5.C19H24N4O4.FH.K/c41-29-5-1-4-28(22-29)31-7-3-17-48(31)37-15-14-35-42-23-33(50(35)45-37)30-6-2-8-36(43-30)47-20-18-46(19-21-47)24-26-9-11-27(12-10-26)34-25-49(40(53)54-34)32-13-16-38(51)44-39(32)52;22-15-5-1-4-14(12-15)17-7-3-11-27(17)21-10-9-20-24-13-18(28(20)26-21)16-6-2-8-19(23)25-16;24-17-6-5-15(18(25)21-17)23-12-16(27-19(23)26)14-3-1-13(2-4-14)11-22-9-7-20-8-10-22;;/h1-2,4-6,8-12,14-15,22-23,31-32,34H,3,7,13,16-21,24-25H2,(H,44,51,52);1-2,4-6,8-10,12-13,17H,3,7,11H2;1-4,15-16,20H,5-12H2,(H,21,24,25);1H;/q;;;;+1/p-1/t31-,32?,34-;17-;15?,16-;;/m111../s1
• InChIKey: ARWNWOKNUKKNTM-LCQMHNCASA-M
• XLogP: 3.70
• TPSA: 265.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1537.74
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride?

The IUPAC name of Potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride (CID 157210905) is potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride.

What is the SMILES notation for Potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride?

The canonical SMILES for Potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride is Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(F)n4)n3n2)c1.O=C1CCC(N2C[C@H](c3ccc(CN4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)cc3)OC2=O)C(=O)N1.O=C1CCC(N2C[C@H](c3ccc(CN4CCNCC4)cc3)OC2=O)C(=O)N1.[F-].[K+].

What is the InChIKey of Potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride?

The InChIKey is ARWNWOKNUKKNTM-LCQMHNCASA-M. The full InChI is InChI=1S/C40H40FN9O4.C21H17F2N5.C19H24N4O4.FH.K/c41-29-5-1-4-28(22-29)31-7-3-17-48(31)37-15-14-35-42-23-33(50(35)45-37)30-6-2-8-36(43-30)47-20-18-46(19-21-47)24-26-9-11-27(12-10-26)34-25-49(40(53)54-34)32-13-16-38(51)44-39(32)52;22-15-5-1-4-14(12-15)17-7-3-11-27(17)21-10-9-20-24-13-18(28(20)26-21)16-6-2-8-19(23)25-16;24-17-6-5-15(18(25)21-17)23-12-16(27-19(23)26)14-3-1-13(2-4-14)11-22-9-7-20-8-10-22;;/h1-2,4-6,8-12,14-15,22-23,31-32,34H,3,7,13,16-21,24-25H2,(H,44,51,52);1-2,4-6,8-10,12-13,17H,3,7,11H2;1-4,15-16,20H,5-12H2,(H,21,24,25);1H;/q;;;;+1/p-1/t31-,32?,34-;17-;15?,16-;;/m111../s1.

What are the key properties of Potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride?

Potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride has a molecular weight of 1537.74 g/mol, XLogP of 3.70, 15 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for Potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride is sourced from PubChem (CID 157210905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157210905 — identifiers, structure, computed properties (public domain)

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