3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-[4-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]prop-1-ynyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione

C102H100F2N20O13 — CID 157168717

About 3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-[4-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]prop-1-ynyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione

3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-[4-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]prop-1-ynyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione (PubChem CID 157168717) has the molecular formula C102H100F2N20O13 and a molecular weight of 1852.04 g/mol. Its IUPAC name is 3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-[4-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]prop-1-ynyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-[4-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]prop-1-ynyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
• PubChem CID: 157168717
• Molecular Formula: C102H100F2N20O13
• Molecular Weight: 1852.04 g/mol
• Exact Mass: 1850.77
• IUPAC Name: 3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-[4-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]prop-1-ynyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
• SMILES: CCC#Cc1ccc([C@H]2CN(C3CCC(=O)NC3=O)C(=O)O2)cc1.Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(N5CCNCC5)n4)n3n2)c1.O=C1CCC(N2CC(c3ccc(C#CCN4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)cc3)OC2=O)C(=O)N1.O=C1CCC(N2CC(c3ccc(C#CCO)cc3)OC2=O)C(=O)N1
• InChI: InChI=1S/C42H40FN9O4.C25H26FN7.C18H18N2O4.C17H16N2O5/c43-31-7-1-6-30(25-31)33-9-4-20-50(33)39-17-16-37-44-26-35(52(37)47-39)32-8-2-10-38(45-32)49-23-21-48(22-24-49)19-3-5-28-11-13-29(14-12-28)36-27-51(42(55)56-36)34-15-18-40(53)46-41(34)54;26-19-5-1-4-18(16-19)21-7-3-13-32(21)25-10-9-23-28-17-22(33(23)30-25)20-6-2-8-24(29-20)31-14-11-27-12-15-31;1-2-3-4-12-5-7-13(8-6-12)15-11-20(18(23)24-15)14-9-10-16(21)19-17(14)22;20-9-1-2-11-3-5-12(6-4-11)14-10-19(17(23)24-14)13-7-8-15(21)18-16(13)22/h1-2,6-8,10-14,16-17,25-26,33-34,36H,4,9,15,18-24,27H2,(H,46,53,54);1-2,4-6,8-10,16-17,21,27H,3,7,11-15H2;5-8,14-15H,2,9-11H2,1H3,(H,19,21,22);3-6,13-14,20H,7-10H2,(H,18,21,22)/t33-,34?,36?;21-;14?,15-;/m111./s1
• InChIKey: ANFCWRPUASHCQP-AHGYLHGNSA-N
• XLogP: 10.50
• TPSA: 361.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1852.04
LogP ≤ 5	10.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-[4-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]prop-1-ynyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione?

The IUPAC name of 3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-[4-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]prop-1-ynyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione (CID 157168717) is 3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-[4-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]prop-1-ynyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-[4-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]prop-1-ynyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-[4-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]prop-1-ynyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione is CCC#Cc1ccc([C@H]2CN(C3CCC(=O)NC3=O)C(=O)O2)cc1.Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(N5CCNCC5)n4)n3n2)c1.O=C1CCC(N2CC(c3ccc(C#CCN4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)cc3)OC2=O)C(=O)N1.O=C1CCC(N2CC(c3ccc(C#CCO)cc3)OC2=O)C(=O)N1.

What is the InChIKey of 3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-[4-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]prop-1-ynyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione?

The InChIKey is ANFCWRPUASHCQP-AHGYLHGNSA-N. The full InChI is InChI=1S/C42H40FN9O4.C25H26FN7.C18H18N2O4.C17H16N2O5/c43-31-7-1-6-30(25-31)33-9-4-20-50(33)39-17-16-37-44-26-35(52(37)47-39)32-8-2-10-38(45-32)49-23-21-48(22-24-49)19-3-5-28-11-13-29(14-12-28)36-27-51(42(55)56-36)34-15-18-40(53)46-41(34)54;26-19-5-1-4-18(16-19)21-7-3-13-32(21)25-10-9-23-28-17-22(33(23)30-25)20-6-2-8-24(29-20)31-14-11-27-12-15-31;1-2-3-4-12-5-7-13(8-6-12)15-11-20(18(23)24-15)14-9-10-16(21)19-17(14)22;20-9-1-2-11-3-5-12(6-4-11)14-10-19(17(23)24-14)13-7-8-15(21)18-16(13)22/h1-2,6-8,10-14,16-17,25-26,33-34,36H,4,9,15,18-24,27H2,(H,46,53,54);1-2,4-6,8-10,16-17,21,27H,3,7,11-15H2;5-8,14-15H,2,9-11H2,1H3,(H,19,21,22);3-6,13-14,20H,7-10H2,(H,18,21,22)/t33-,34?,36?;21-;14?,15-;/m111./s1.

What are the key properties of 3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-[4-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]prop-1-ynyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione?

3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-[4-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]prop-1-ynyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione has a molecular weight of 1852.04 g/mol, XLogP of 10.50, 15 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[5-[4-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]prop-1-ynyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 157168717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).