2-bromoethanol;2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-(2-hydroxyethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-propoxyisoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;4-methylbenzenesulfonyl chloride

C118H116BrClF2N22O24S — CID 163834438

About 2-bromoethanol;2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-(2-hydroxyethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-propoxyisoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;4-methylbenzenesulfonyl chloride

2-bromoethanol;2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-(2-hydroxyethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-propoxyisoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;4-methylbenzenesulfonyl chloride (PubChem CID 163834438) has the molecular formula C118H116BrClF2N22O24S and a molecular weight of 2411.78 g/mol. Its IUPAC name is 2-bromoethanol;2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-(2-hydroxyethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-propoxyisoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;4-methylbenzenesulfonyl chloride.

Molecular Properties

• Compound Name: 2-bromoethanol;2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-(2-hydroxyethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-propoxyisoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;4-methylbenzenesulfonyl chloride
• PubChem CID: 163834438
• Molecular Formula: C118H116BrClF2N22O24S
• Molecular Weight: 2411.78 g/mol
• Exact Mass: 2408.71
• IUPAC Name: 2-bromoethanol;2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-(2-hydroxyethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-propoxyisoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;4-methylbenzenesulfonyl chloride
• SMILES: CCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1ccc(S(=O)(=O)Cl)cc1.Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(N5CCNCC5)n4)n3n2)c1.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OCCN4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OCCO)cc3C2=O)C(=O)N1.OCCBr
• InChI: InChI=1S/C40H38FN9O5.C25H26FN7.C16H16N2O5.C15H14N2O6.C13H10N2O5.C7H7ClO2S.C2H5BrO/c41-26-5-1-4-25(22-26)31-7-3-15-48(31)36-13-12-34-42-24-33(50(34)45-36)30-6-2-8-35(43-30)47-18-16-46(17-19-47)20-21-55-27-9-10-28-29(23-27)40(54)49(39(28)53)32-11-14-37(51)44-38(32)52;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;1-2-7-23-9-3-4-10-11(8-9)16(22)18(15(10)21)12-5-6-13(19)17-14(12)20;18-5-6-23-8-1-2-9-10(7-8)15(22)17(14(9)21)11-3-4-12(19)16-13(11)20;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18;1-6-2-4-7(5-3-6)11(8,9)10;3-1-2-4/h1-2,4-6,8-10,12-13,22-24,31-32H,3,7,11,14-21H2,(H,44,51,52);1-2,4-6,8-10,16-17,21,27H,3,7,11-15H2;3-4,8,12H,2,5-7H2,1H3,(H,17,19,20);1-2,7,11,18H,3-6H2,(H,16,19,20);1-2,5,9,16H,3-4H2,(H,14,17,18);2-5H,1H3;4H,1-2H2/t31-,32?;21-;;;;;/m11...../s1
• InChIKey: OGMIQACFQRMJHT-NJWKKGELSA-N
• XLogP: 9.98
• TPSA: 571.11 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2411.78
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromoethanol;2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-(2-hydroxyethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-propoxyisoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;4-methylbenzenesulfonyl chloride?

The IUPAC name of 2-bromoethanol;2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-(2-hydroxyethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-propoxyisoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;4-methylbenzenesulfonyl chloride (CID 163834438) is 2-bromoethanol;2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-(2-hydroxyethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-propoxyisoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;4-methylbenzenesulfonyl chloride.

What is the SMILES notation for 2-bromoethanol;2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-(2-hydroxyethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-propoxyisoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;4-methylbenzenesulfonyl chloride?

The canonical SMILES for 2-bromoethanol;2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-(2-hydroxyethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-propoxyisoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;4-methylbenzenesulfonyl chloride is CCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1ccc(S(=O)(=O)Cl)cc1.Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(N5CCNCC5)n4)n3n2)c1.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OCCN4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(OCCO)cc3C2=O)C(=O)N1.OCCBr.

What is the InChIKey of 2-bromoethanol;2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-(2-hydroxyethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-propoxyisoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;4-methylbenzenesulfonyl chloride?

The InChIKey is OGMIQACFQRMJHT-NJWKKGELSA-N. The full InChI is InChI=1S/C40H38FN9O5.C25H26FN7.C16H16N2O5.C15H14N2O6.C13H10N2O5.C7H7ClO2S.C2H5BrO/c41-26-5-1-4-25(22-26)31-7-3-15-48(31)36-13-12-34-42-24-33(50(34)45-36)30-6-2-8-35(43-30)47-18-16-46(17-19-47)20-21-55-27-9-10-28-29(23-27)40(54)49(39(28)53)32-11-14-37(51)44-38(32)52;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;1-2-7-23-9-3-4-10-11(8-9)16(22)18(15(10)21)12-5-6-13(19)17-14(12)20;18-5-6-23-8-1-2-9-10(7-8)15(22)17(14(9)21)11-3-4-12(19)16-13(11)20;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18;1-6-2-4-7(5-3-6)11(8,9)10;3-1-2-4/h1-2,4-6,8-10,12-13,22-24,31-32H,3,7,11,14-21H2,(H,44,51,52);1-2,4-6,8-10,16-17,21,27H,3,7,11-15H2;3-4,8,12H,2,5-7H2,1H3,(H,17,19,20);1-2,7,11,18H,3-6H2,(H,16,19,20);1-2,5,9,16H,3-4H2,(H,14,17,18);2-5H,1H3;4H,1-2H2/t31-,32?;21-;;;;;/m11...../s1.

What are the key properties of 2-bromoethanol;2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-(2-hydroxyethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-propoxyisoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;4-methylbenzenesulfonyl chloride?

2-bromoethanol;2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-(2-hydroxyethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-propoxyisoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;4-methylbenzenesulfonyl chloride has a molecular weight of 2411.78 g/mol, XLogP of 9.98, 24 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromoethanol;2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-(2-hydroxyethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-propoxyisoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 163834438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).