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

C81H82F4KN17O8 — CID 157444327

IUPACpotassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;4-[(5S)-5-[3-[[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]cyclohexane-1,3-dione;3-[(5S)-2-oxo-5-[3-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride
SMILESFc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(F)n4)n3n2)c1.O=C1CCC(N2C[C@H](c3cccc(CN4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)c3)OC2=O)C(=O)C1.O=C1CCC(N2C[C@H](c3cccc(CN4CCNCC4)c3)OC2=O)C(=O)N1.[F-].[K+]
InChIInChI=1S/C41H41FN8O4.C21H17F2N5.C19H24N4O4.FH.K/c42-30-8-2-6-28(22-30)33-10-4-16-48(33)40-15-14-38-43-24-35(50(38)45-40)32-9-3-11-39(44-32)47-19-17-46(18-20-47)25-27-5-1-7-29(21-27)37-26-49(41(53)54-37)34-13-12-31(51)23-36(34)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;24-17-5-4-15(18(25)21-17)23-12-16(27-19(23)26)14-3-1-2-13(10-14)11-22-8-6-20-7-9-22;;/h1-3,5-9,11,14-15,21-22,24,33-34,37H,4,10,12-13,16-20,23,25-26H2;1-2,4-6,8-10,12-13,17H,3,7,11H2;1-3,10,15-16,20H,4-9,11-12H2,(H,21,24,25);1H;/q;;;;+1/p-1/t33-,34?,37-;17-;15?,16-;;/m111../s1
InChIKeyBSARNCRGUVXKHC-FQNBLOROSA-M
MW1536.75 g/mol
LogP4.59
Rot. Bonds15

About potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;4-[(5S)-5-[3-[[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]cyclohexane-1,3-dione;3-[(5S)-2-oxo-5-[3-(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;4-[(5S)-5-[3-[[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]cyclohexane-1,3-dione;3-[(5S)-2-oxo-5-[3-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride (PubChem CID 157444327) has the molecular formula C81H82F4KN17O8 and a molecular weight of 1536.75 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;4-[(5S)-5-[3-[[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]cyclohexane-1,3-dione;3-[(5S)-2-oxo-5-[3-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride.

Molecular Properties

Compound Namepotassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;4-[(5S)-5-[3-[[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]cyclohexane-1,3-dione;3-[(5S)-2-oxo-5-[3-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride
PubChem CID157444327
Molecular FormulaC81H82F4KN17O8
Molecular Weight1536.75 g/mol
Exact Mass1535.61
IUPAC Namepotassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;4-[(5S)-5-[3-[[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]cyclohexane-1,3-dione;3-[(5S)-2-oxo-5-[3-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride
SMILESFc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(F)n4)n3n2)c1.O=C1CCC(N2C[C@H](c3cccc(CN4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)c3)OC2=O)C(=O)C1.O=C1CCC(N2C[C@H](c3cccc(CN4CCNCC4)c3)OC2=O)C(=O)N1.[F-].[K+]
InChIInChI=1S/C41H41FN8O4.C21H17F2N5.C19H24N4O4.FH.K/c42-30-8-2-6-28(22-30)33-10-4-16-48(33)40-15-14-38-43-24-35(50(38)45-40)32-9-3-11-39(44-32)47-19-17-46(18-20-47)25-27-5-1-7-29(21-27)37-26-49(41(53)54-37)34-13-12-31(51)23-36(34)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;24-17-5-4-15(18(25)21-17)23-12-16(27-19(23)26)14-3-1-2-13(10-14)11-22-8-6-20-7-9-22;;/h1-3,5-9,11,14-15,21-22,24,33-34,37H,4,10,12-13,16-20,23,25-26H2;1-2,4-6,8-10,12-13,17H,3,7,11H2;1-3,10,15-16,20H,4-9,11-12H2,(H,21,24,25);1H;/q;;;;+1/p-1/t33-,34?,37-;17-;15?,16-;;/m111../s1
InChIKeyBSARNCRGUVXKHC-FQNBLOROSA-M
XLogP4.59
TPSA253.78 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001536.75
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;4-[(5S)-5-[3-[[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]cyclohexane-1,3-dione;3-[(5S)-2-oxo-5-[3-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride with MolForge

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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;4-[(5S)-5-[3-[[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]cyclohexane-1,3-dione;3-[(5S)-2-oxo-5-[3-(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;4-[(5S)-5-[3-[[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]cyclohexane-1,3-dione;3-[(5S)-2-oxo-5-[3-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride (CID 157444327) is potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;4-[(5S)-5-[3-[[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]cyclohexane-1,3-dione;3-[(5S)-2-oxo-5-[3-(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;4-[(5S)-5-[3-[[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]cyclohexane-1,3-dione;3-[(5S)-2-oxo-5-[3-(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;4-[(5S)-5-[3-[[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]cyclohexane-1,3-dione;3-[(5S)-2-oxo-5-[3-(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](c3cccc(CN4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)c3)OC2=O)C(=O)C1.O=C1CCC(N2C[C@H](c3cccc(CN4CCNCC4)c3)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;4-[(5S)-5-[3-[[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]cyclohexane-1,3-dione;3-[(5S)-2-oxo-5-[3-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride?
The InChIKey is BSARNCRGUVXKHC-FQNBLOROSA-M. The full InChI is InChI=1S/C41H41FN8O4.C21H17F2N5.C19H24N4O4.FH.K/c42-30-8-2-6-28(22-30)33-10-4-16-48(33)40-15-14-38-43-24-35(50(38)45-40)32-9-3-11-39(44-32)47-19-17-46(18-20-47)25-27-5-1-7-29(21-27)37-26-49(41(53)54-37)34-13-12-31(51)23-36(34)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;24-17-5-4-15(18(25)21-17)23-12-16(27-19(23)26)14-3-1-2-13(10-14)11-22-8-6-20-7-9-22;;/h1-3,5-9,11,14-15,21-22,24,33-34,37H,4,10,12-13,16-20,23,25-26H2;1-2,4-6,8-10,12-13,17H,3,7,11H2;1-3,10,15-16,20H,4-9,11-12H2,(H,21,24,25);1H;/q;;;;+1/p-1/t33-,34?,37-;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;4-[(5S)-5-[3-[[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]cyclohexane-1,3-dione;3-[(5S)-2-oxo-5-[3-(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;4-[(5S)-5-[3-[[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]cyclohexane-1,3-dione;3-[(5S)-2-oxo-5-[3-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride has a molecular weight of 1536.75 g/mol, XLogP of 4.59, 15 rotatable bonds, 2 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;4-[(5S)-5-[3-[[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]cyclohexane-1,3-dione;3-[(5S)-2-oxo-5-[3-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride is sourced from PubChem (CID 157444327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).